Quinoxaline-2-carboxamide - CAS 5182-90-1

Catalog:	BB027619
Product Name:	Quinoxaline-2-carboxamide
CAS:	5182-90-1
Synonyms:	2-quinoxalinecarboxamide; quinoxaline-2-carboxamide

Technical Data

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Computed Properties

IUPAC Name:	quinoxaline-2-carboxamide
Description:	Quinoxaline-2-carboxamide (CAS# 5182-90-1) is a useful research chemical.
Molecular Weight:	173.17
Molecular Formula:	C9H7N3O
Canonical SMILES:	C1=CC=C2C(=C1)N=CC(=N2)C(=O)N
InChI:	InChI=1S/C9H7N3O/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8/h1-5H,(H2,10,13)
InChI Key:	CGJMVNVWQHPASW-UHFFFAOYSA-N
Boiling Point:	430.8 °C at 760 mmHg
Density:	1.345 g/cm³
LogP:	1.42900

Publication Number	Title	Priority Date
WO-2021206876-A1	Inhibitors of norovirus and coronavirus replication	20200410
US-2021317332-A1	Method of making golf ball and resulting golf ball	20200409
US-2021301067-A1	Method of making golf ball incorporating improved polyurethane materials and resulting golf ball	20200327
WO-2021163466-A1	Uses of hypoxia-inducible factor inhibtors for treating tp53-mutated acute myeloid leukemia	20200214
CN-110981819-A	Quinoxaline signal channel inhibitor and preparation method and application thereof	20191224

PMID	Publication Date	Title	Journal
22259578	20120101	3-Carbamoylquinoxalin-1-ium chloride	Acta crystallographica. Section E, Structure reports online
22143549	20110913	Studies on log Po/w of quinoxaline di-N-oxides: a comparison of RP-HPLC experimental and predictive approaches	Molecules (Basel, Switzerland)
21269449	20110126	In silico quantitative structure-activity relationship studies on P-gp modulators of tetrahydroisoquinoline-ethyl-phenylamine series	BMC structural biology
20656380	20101001	Synthesis and antimycobacterial activity of new quinoxaline-2-carboxamide 1,4-di-N-oxide derivatives	European journal of medicinal chemistry
17258458	20070315	Structure-activity relationship (SAR) studies of quinoxalines as novel HCV NS5B RNA-dependent RNA polymerase inhibitors	Bioorganic & medicinal chemistry letters

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Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.058911855
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1