6-Methylisoquinolin-1(2H)-one - CAS 131002-10-3

Name: 6-Methylisoquinolin-1(2H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007222
Product Name:	6-Methylisoquinolin-1(2H)-one
CAS:	131002-10-3
Synonyms:	6-methyl-2H-isoquinolin-1-one; 6-methyl-2H-isoquinolin-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-methyl-2H-isoquinolin-1-one
Description:	6-Methylisoquinolin-1(2H)-one (CAS# 131002-10-3) is a useful reagent in the preparation of substituted isoquinolones.
Molecular Weight:	159.18
Molecular Formula:	C10H9NO
Canonical SMILES:	CC1=CC2=C(C=C1)C(=O)NC=C2
InChI:	InChI=1S/C10H9NO/c1-7-2-3-9-8(6-7)4-5-11-10(9)12/h2-6H,1H3,(H,11,12)
InChI Key:	AVBPTIYKXNVKNJ-UHFFFAOYSA-N
Boiling Point:	393.92 °C at 760 mmHg
Density:	1.15 g/cm³
MDL:	MFCD11559024
LogP:	2.24880

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Related Functional Groups

Quinoline/Isoquinoline

[948291-36-9]C11H7Cl2NO
2,5-Dichloro-8-methylquinoline-3-carboxaldehyde
[938459-19-9]C11H10ClNS
2-Chloro-4-methyl-7-(methylthio)quinoline
[361982-79-8]C13H12ClN
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[938001-63-9]C11H12ClN3
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[1535306-28-5]C9H5FINO
6-Fluoro-8-iodoquinolin-2(1H)-one
[1203578-65-7]C15H10BrN
7-Bromo-2-phenylquinoline

Publication Number	Title	Priority Date
US-2014179675-A1	Quinolone compound	20110831
US-2015005287-A2	Quinolone compound	20110831
US-2015239865-A1	Quinolone compound	20110831
US-9067887-B2	Quinolone compound	20110831
WO-2013029548-A1	Quinolone compound	20110831

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.068413911
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.068413911
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7