Fluoroethyl piperidinyl quinazoline dione

Identification

Molecular formula

C₂₁H₂₀FN₃O₃

CAS number

198560-81-7

IUPAC name

3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione

State

At room temperature, the compound is typically found in a solid state. It is stable in this form and generally maintained at standard conditions for prolonged use and study in laboratory settings.

Melting point (Celsius)

245.00

Melting point (Kelvin)

518.15

Boiling point (Celsius)

507.00

Boiling point (Kelvin)

780.15

General information

Molecular weight

368.40g/mol

Molar mass

368.3900g/mol

Density

1.3765g/cm³

Appearence

Fluoroethyl piperidinyl quinazoline dione appears as a white to off-white crystalline powder. It is often seen in solid form with a fine, granular texture. The compound's specific appearance may vary slightly depending on the degree of purity and the form in which it is synthesized or stored.

Comment on solubility

Solubility of 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione

The solubility of 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione (C₂₁H₂₀FN₃O₃) is a significant characteristic that influences its practical applications. Understanding its solubility helps in determining how this compound can be utilized in various chemical processes and formulations.

Factors Influencing Solubility

There are several factors that can impact the solubility of this compound:

Polarity: The presence of functional groups can affect the interaction with solvents. This compound contains a fluorobenzoyl group and a piperidine unit, which may alter polarity.
Temperature: Generally, increasing temperature enhances solubility for solid solutes. The behavior of this specific compound at varying temperatures can provide insights into its solubility profile.
pH: As a dione, the ionization state of this compound may change with pH. Understanding its behavior in different pH environments can predict solubility in biological systems.

Expected Solubility Trends

While specific solubility values for 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione may not be readily available, one can hypothesize:

If the compound is polar, it may have reasonable solubility in polar solvents like water or methanol.
If the compound is non-polar, it would be better solubilized in organic solvents such as chloroform or ethanol.

In conclusion, the solubility of 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione is an essential consideration that dictates its behavior in scientific and industrial applications. Understanding the factors and expected trends in solubility will aid researchers and practitioners in effectively utilizing this compound.

Interesting facts

Interesting Facts about 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione

This intriguing compound, often referred to in research circles, has garnered attention for its potential applications in medicinal chemistry. Here are some key points that highlight its significance:

Pharmaceutical Relevance: Compounds with a quinazoline structure are frequently studied for their biological activity. This specific compound is believed to exhibit promising antitumor properties, making it a topic of interest in cancer research.
Fluorine's Role: The presence of the fluorine atom in this compound greatly enhances its lipophilicity and metabolic stability, which are critical factors in drug design.
Complex Structure: The incorporation of a piperidine ring and a benzoyl moiety enhances the compound's interactions with biological targets, offering potential pathways for therapeutic action.
Research Opportunities: Due to its unique structure, this compound serves as a versatile scaffold for the synthesis of derivatives that may have improved efficacy or reduced side effects.
Structure-Activity Relationship (SAR): Investigating the SAR of compounds like this one helps chemists understand which structural elements contribute to biological activity, ultimately guiding the development of more effective drugs.

Overall, the study of this compound is a fine illustration of how intricate molecular designs can lead to significant advancements in medical science. As research progresses, this compound may unlock new possibilities in targeted therapy.

Synonyms

Ketanserin

74050-98-9

Ketanserin tartrate

Ketanserina

Ketanserine

Ketanserinum

Ketaserin

3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)quinazoline-2,4(1H,3H)-dione

Ketanserine [INN-French]

Ketanserinum [INN-Latin]

Serefrex

Ketanserina [INN-Spanish]

R-41,468

R-41468

3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione

EINECS 277-680-2

Ketanserin [USAN:INN:BAN]

97F9DE4CT4

CHEBI:6123

R 41468

[3H]-Ketanserin

DTXSID3023188

3-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2,4-(1H,3H)-quinazolinedione

KETANSERIN [MI]

CHEMBL51

KETANSERIN [INN]

KETANSERIN [USAN]

MFCD00083392

KETANSERIN [MART.]

KETANSERIN [WHO-DD]

3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H,3H)-quinazolinedione

3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione

2,4(1H,3H)-Quinazolinedione, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-

DTXCID103188

[3H]ketanserin

2,4(1H,3H)-Quinazolinedione, 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-

3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}quinazoline-2,4(1H,3H)-dione

NCGC00021146-06

Ketanserine (INN-French)

Ketanserinum (INN-Latin)

3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione

Ketanserina (INN-Spanish)

KETANSERIN (MART.)

NSC-758959

83846-83-7

(+)-3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione

R41 468

C22H22FN3O3

3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

ketensin

Perketal

Taseron

Vulketan Gel

3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4[1H,3H]-quinazolinedione

3-[2-[4-(p-Fluorobenzoyl)piperidino]ethyl]-2,4-(1H,3H)-quinazolinedione

3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione

CAS-74050-98-9

R 41,468

Ketanserin (USAN/INN)

UNII-97F9DE4CT4

Kentanserin

R-41-468

3-(2-(4-(4-fluorobenzoyl)-1-piperidyl)ethyl)-1H-quinazoline-2,4-dione

3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-1H-quinazoline-2,4-dione

(+)-3-(2-(4-(4-Fluorobenzoyl)-1-piperidinyl)ethyl)-2,4(1H,3H)-quinazolinedione

3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,4(1H,3H)-quinazolinedione

3-{2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl}-2,4(1H,3H)-quinazolinedione

3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione; Ketanserin; Ketensin; R 41468; Suffrexal; Vulketan Gel

Ketanserin (Standard)

Tocris-0908

Spectrum2_001713

Ketanserin (Vulketan Gel)

Biomol-NT_000096

GTPL88

3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)-ethyl)quinazoline-2,4(1H,3H)-dione

R41,468

SCHEMBL34294

GTPL197

MLS006010073

SPECTRUM1505346

SPBio_001726

BPBio1_001356

BDBM21395

C02KD01

HMS1923O11

HMS2090H18

HMS2094I03

HMS3655H14

HMS3887G17

Pharmakon1600-01505346

Tox21_110865

CCG-39512

HY-10562R

NSC758959

PDSP1_000639

PDSP2_000634

s2232

AKOS015895130

Tox21_110865_1

AC-2024

CS-6055

DB12465

FF24757

GS-3601

SDCCGSBI-0051158.P004

3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)quinazoline-2,4(1H,3H)-dione

NCGC00021146-01

NCGC00021146-02

NCGC00021146-03

NCGC00021146-04

NCGC00021146-05

NCGC00021146-07

NCGC00021146-08

NCGC00021146-09

NCGC00021146-12

NCGC00021146-22

NCGC00024865-01

NCGC00024865-02

NCGC00024865-03

NCGC00024865-04

NCGC00024865-05

HY-10562

SMR001550601

SY053064

SBI-0051158.P003

DB-055834

K0051

NS00001319

SW196882-3

C07464

D02363

L000764

Q415997

BRD-K49671696-001-02-1

BRD-K49671696-001-05-4

BRD-K49671696-045-08-5

BRD-K49671696-046-01-8

BRD-K49671696-347-02-8

F2173-1039

Z2216887910

KETANSERIN, Ketanserin tartrate hydrate, KETANSERIN TARTRATE

3-(2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl)-2,4(1H,3H)-quinazolinedione #

3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]-ethyl]-2,4-[1H, 3H]-quinazolinedione

3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4-(1H,3H)-quinazolinedione

3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,4[1H,3H]-quinazolinedione;R 41468

3-[2-[4-(4-Fluorobenzoyl)-1-piperidyl]ethyl]quinazoline-2,4(1H,3H)-dione

3-{2-[4-(4-fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1h-quinazoline-2,4-dione

3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

277-680-2

UYX