6-Bromo-4-methyl-3,4-dihydroquinoxalin-2(1H)-one - CAS 305790-79-8

Catalog:	BB020643
Product Name:	6-Bromo-4-methyl-3,4-dihydroquinoxalin-2(1H)-one
CAS:	305790-79-8
Synonyms:	6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one; 6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromo-4-methyl-1,3-dihydroquinoxalin-2-one
Description:	6-Bromo-4-methyl-3,4-dihydroquinoxalin-2(1H)-one (CAS# 305790-79-8) is a useful research chemical.
Molecular Weight:	241.08
Molecular Formula:	C9H9BrN2O
Canonical SMILES:	CN1CC(=O)NC2=C1C=C(C=C2)Br
InChI:	InChI=1S/C9H9BrN2O/c1-12-5-9(13)11-7-3-2-6(10)4-8(7)12/h2-4H,5H2,1H3,(H,11,13)
InChI Key:	PEBBLUUDVVUJSY-UHFFFAOYSA-N
LogP:	2.04040

Publication Number	Title	Priority Date
US-2011112067-A1	Inhibitors of the Human Aldosterone Sythase CYP11B2	20091109
US-8541404-B2	Inhibitors of the human aldosterone synthase CYP11B2	20091109
AU-2009243736-A1	6-pyridin-3-yl-3,4-dihydro-1h-quinolin-2-one derivatives and related compounds as inhibitors of the human aldosterone synthase CTP11B2	20080506
AU-2009243736-B2	6-pyridin-3-yl-3,4-dihydro-1h-quinolin-2-one derivatives and related compounds as inhibitors of the human aldosterone synthase CTP11B2	20080506
CA-2723545-A1	6-pyridin-3-yl-3,4-dihydro-1h-quinolin-2-one derivatives and related compounds as inhibitors of the human aldosterone synthase cyp11b2	20080506

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Related Functional Groups

Quinoxalines

[82031-32-1]
7-Bromoquinoxalin-2(1H)-one
[70038-75-4]
9-Methyl-6H-indolo[2,3-b]quinoxaline
[6925-00-4]
Quinoxaline-6-carboxylic acid
[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
[36856-91-4]
2-Bromoquinoxaline

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.98983
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.98983
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7