5-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 31366-49-1

Catalog:	BB020897
Product Name:	5-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS:	31366-49-1
Synonyms:	5-methyl-4H-1,4-benzoxazin-3-one; 5-methyl-4H-1,4-benzoxazin-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-methyl-4H-1,4-benzoxazin-3-one
Description:	5-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 31366-49-1 ) is a useful research chemical.
Molecular Weight:	163.17
Molecular Formula:	C9H9NO2
Canonical SMILES:	CC1=C2C(=CC=C1)OCC(=O)N2
InChI:	InChI=1S/C9H9NO2/c1-6-3-2-4-7-9(6)10-8(11)5-12-7/h2-4H,5H2,1H3,(H,10,11)
InChI Key:	IZEWFCAHXGQOIA-UHFFFAOYSA-N
MDL:	MFCD12755935
LogP:	1.46390

Publication Number	Title	Priority Date
EP-3279187-B1	9-membered fused ring derivative	20150330
EP-3670496-A2	Acc2 inhibitors	20131017
WO-2014100730-A1	Prmt5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof	20121221
WO-2014100734-A1	Prmt5 inhibitors and uses thereof	20121221
US-2010094000-A1	Pyrazole compounds	20080903

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Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.06332853
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.06332853
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2