Methyl Quinoxaline-2-carboxylate - CAS 1865-11-8

Catalog:	BB014331
Product Name:	Methyl Quinoxaline-2-carboxylate
CAS:	1865-11-8
Synonyms:	2-quinoxalinecarboxylic acid methyl ester; methyl quinoxaline-2-carboxylate

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Computed Properties

IUPAC Name:	methyl quinoxaline-2-carboxylate
Description:	Methyl Quinoxaline-2-carboxylate (CAS# 1865-11-8) is also used in the design of guanine-guanine selective DNA cleaving agents.
Molecular Weight:	188.18
Molecular Formula:	C10H8N2O2
Canonical SMILES:	COC(=O)C1=NC2=CC=CC=C2N=C1
InChI:	InChI=1S/C10H8N2O2/c1-14-10(13)9-6-11-7-4-2-3-5-8(7)12-9/h2-6H,1H3
InChI Key:	KDPBLDOVCGAWNQ-UHFFFAOYSA-N
MDL:	MFCD02167640
LogP:	1.41640

Publication Number	Title	Priority Date
CN-112048734-A	Regioselective electrochemical synthesis method of nitrogen-containing aromatic heterocyclic carboxylic acid	20200911
WO-2018116072-A1	Heterocyclic compounds	20161220
WO-2018064119-A1	Calpain modulators and therapeutic uses thereof	20160928
US-10934261-B2	Calpain modulators and therapeutic uses thereof	20160928
CN-107383024-A	The class compound of fused tricyclic containing imidazoles and its application	20160912

PMID	Publication Date	Title	Journal
12459027	20021205	Synthesis and antimycobacterial activity of pyrazine and quinoxaline derivatives	Journal of medicinal chemistry

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Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.058577502
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2