3-Methylquinoxalin-2(1H)-one - CAS 14003-34-0

Catalog:	BB009024
Product Name:	3-Methylquinoxalin-2(1H)-one
CAS:	14003-34-0
Synonyms:	3-methyl-1H-quinoxalin-2-one; 3-methyl-1H-quinoxalin-2-one

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Computed Properties

IUPAC Name:	3-methyl-1H-quinoxalin-2-one
Description:	3-Methylquinoxalin-2(1H)-one (CAS# 14003-34-0) is a useful research chemical.
Molecular Weight:	160.17
Molecular Formula:	C9H8N2O
Canonical SMILES:	CC1=NC2=CC=CC=C2NC1=O
InChI:	InChI=1S/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H3,(H,11,12)
InChI Key:	BMIMNRPAEPIYDN-UHFFFAOYSA-N
Boiling Point:	345.6 °C at 760 mmHg
Density:	1.26 g/cm³
Solubility:	>24 [ug/mL] (The mean of the results at pH 7.4)
Appearance:	Yellow crystalline
Storage:	Sealed in dry, 2-8 °C
LogP:	1.64380

Publication Number	Title	Priority Date
CN-112812069-A	Synthetic method of 3-methyl-3-quinolol	20210221
US-2021323911-A1	Methods of forming imines, imine-related and imine-derived compounds using green solvents	20200417
WO-2021175203-A1	Aie probe and application thereof	20200302
CN-111116497-A	Preparation method of 3-methylquinoxaline-2- (1H) -one derivative	20191120
CN-111116497-B	Preparation method of 3-methylquinoxaline-2- (1H) -one derivative	20191120

PMID	Publication Date	Title	Journal
31893549	20200215	Design, synthesis and biological evaluation of quinoxaline compounds as anti-HIV agents targeting reverse transcriptase enzyme	European journal of medicinal chemistry
21754764	20110601	N'-(3-Methyl-quinoxalin-2-yl)-N'-phenyl-benzohydrazide	Acta crystallographica. Section E, Structure reports online
21579110	20100410	3-[2-(3-Methyl-quinoxalin-2-yl-oxy)eth-yl]-1,3-oxazolidin-2-one	Acta crystallographica. Section E, Structure reports online
11170649	20010215	Structure-activity studies of substituted quinoxalinones as multiple-drug-resistance antagonists	Journal of medicinal chemistry

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Related Functional Groups

Quinoxalines

[6627-38-9]
6,7-Dimethyl-2,3-di(2-pyridyl)quinoxaline
[2379-56-8]
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[70038-75-4]
9-Methyl-6H-indolo[2,3-b]quinoxaline
[2756334-24-2]
7-Bromo-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2(1H)-one
[2756334-26-4]
7-Bromo-8-fluoro-3-methylquinoxalin-2(1H)-one
[2227206-68-8]
5-Bromo-8-chloroquinoxaline

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.063662883
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.063662883
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7