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Quinoxaline derivative

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Identification
Molecular formula
C10H10N2O3
CAS number
13465-12-0
IUPAC name
[3-(hydroxymethyl)-1-oxido-4-oxo-quinoxalin-4-ium-2-yl]methanol
State
State

At room temperature, this compound is typically in a solid state.

Melting point (Celsius)
180.00
Melting point (Kelvin)
453.15
Boiling point (Celsius)
470.00
Boiling point (Kelvin)
743.15
General information
Molecular weight
190.20g/mol
Molar mass
190.1750g/mol
Density
1.4100g/cm3
Appearence

The compound is a solid at room temperature, often appearing as a crystalline solid. It can be pale yellow to yellow in color depending on its purity and form.

Comment on solubility

Solubility of [3-(hydroxymethyl)-1-oxido-4-oxo-quinoxalin-4-ium-2-yl]methanol

[3-(hydroxymethyl)-1-oxido-4-oxo-quinoxalin-4-ium-2-yl]methanol is a complex organic compound, and understanding its solubility is key for applications in pharmaceutical and materials science. Typically, solubility varies widely based on several factors:

  • Polarity: The presence of hydroxymethyl (-CH2OH) groups enhances its polarity, likely increasing solubility in polar solvents such as water.
  • Ionic interactions: The compound has a quaternary nitrogen, contributing to its overall charge, which can improve solubility in polar environments, particularly in the presence of salts.
  • Hydrogen bonding: The -OH group can participate in hydrogen bonding, which stabilizes its dissolution in water and other alcohols.

In general, one might expect that:

  1. Water Solubility: Likely to be high due to the hydrophilic nature of the functional groups.
  2. Organic Solvent Compatibility: Moderate to low solubility in non-polar solvents due to its polar character.

As a rule of thumb, *"The more polar the compound, the greater its solubility in polar solvents."* Hence, [3-(hydroxymethyl)-1-oxido-4-oxo-quinoxalin-4-ium-2-yl]methanol showcases solubility characteristics that are predominantly influenced by its molecular structure and the nature of the solvent used. Understanding these factors is crucial for optimizing conditions in experimental settings.

Interesting facts

Interesting Facts about [3-(hydroxymethyl)-1-oxido-4-oxo-quinoxalin-4-ium-2-yl]methanol

This intriguing compound belongs to a class of chemicals known for their diverse biological activities. Here are some noteworthy aspects:

  • Quinoxaline Derivative: The structure of this compound is based on the quinoxaline framework, which is notable for its applications in medicinal chemistry. Compounds derived from quinoxaline often exhibit anti-cancer, anti-bacterial, and anti-inflammatory properties.
  • Structure-Activity Relationship: Understanding the relationship between its structure and biological activity is essential for the design of new drugs. The presence of the −OH (hydroxymethyl) group may enhance solubility and bioactivity, making it an interesting candidate for further pharmacological studies.
  • Biochemical Functions: Quinoxaline derivatives are known to interact with several biological targets, including enzymes and receptors. This makes them valuable in the field of drug discovery, where they can serve as lead compounds for developing new therapeutic agents.
  • Research Potential: Given its unique structural features, this compound presents opportunities for research in various fields, including synthetic organic chemistry, pharmacology, and materials science.
  • Recent Studies: Recent investigations have focused on the synthesis of such compounds, exploring their potential use in treating neurological disorders and conditions related to oxidative stress.

In summary, [3-(hydroxymethyl)-1-oxido-4-oxo-quinoxalin-4-ium-2-yl]methanol stands out not only for its complex structure but also for its promising implications in the development of therapeutic agents, making it a compound worth exploring in both academic and practical applications.

Synonyms
DIOXIDINE
17311-31-8
Dioxydine
Dioxidin
2,3-Quinoxalinedimethanol, 1,4-dioxide
METROSEPT
CHINOXALINDIMETHANOL DIOXIDE
2,3-quinoxalinedimethanol-1,4-dioxide
16BOP9XE0F
DTXSID00169525
2,3-DI(HYDROXYMETHYL)QUINOXALINE DI-N-OXIDE
SULFONIUM, TRIMETHYL-, 2,3-BIS(HYDROXYMETHYL)QUINOXALINE-1,4-DI-N-OXIDE
2,3-Bis(hydroxymethyl)quinoxaline-1,4-dioxide
DTXCID7092016
2,3-bis(hydroxymethyl)-1-oxoquinoxalin-1-ium-4(1H)-olate
[3-(hydroxymethyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methanol
(1,4-dioxidoquinoxaline-2,3-diyl)dimethanol
Hydroxymethylquinoxalindioxyde
(3-Hydroxymethyl-1,4-dioxy-quinoxalin-2-yl)-methanol
2,3-Quinoxalinedimethanol 1,4-dioxide
2,3-bis(hydroxymethyl)-4-hydroxy-4-hydroquinoxalin-1-one
ChemDiv3_000060
Oprea1_028820
CBDivE_002950
CHEMBL5314960
SCHEMBL11144192
SCHEMBL29368558
SCHEMBL29617401
HMS1473C16
ALBB-028963
2,3-BIS(HYDROXYMETHYL)QUINOXALINE-1,4-DIIUM-1,4-BIS(OLATE)
BBL027205
SBB080590
STK366604
STL069540
AKOS000541267
AKOS005111023
SDCCGMLS-0064536.P001
IDI1_019378
FD136074
ST096307
VS-08499
HY-128509
2,3-bis(hydroxymethyl)quinoxaline-1,4-diol
CHINOXALINDIMETHANOL DIOXIDE [WHO-DD]
ST45053301
AG-690/11354175
SR-01000390051
Q4138123
SR-01000390051-1
BRD-K62858371-001-01-0
[3-(hydroxymethyl)-1,4-dioxido-2-quinoxalinyl]methanol
2,3-DI(HYDROXYMETHYL)QUINOXALINE 1,4-DI-N-OXIDE
[3-(hydroxymethyl)-1,4-dioxido-quinoxaline-1,4-diium-2-yl]methanol
2,3-BIS-HYDROXYMETHYL-2,3-DIHYDRO-QUINOXALINE-1,4-DIOXIDE