3-chloro-5-methoxy-1,2-dihydroisoquinolin-1-one - CAS 24634-02-4

Catalog:	BB018563
Product Name:	3-chloro-5-methoxy-1,2-dihydroisoquinolin-1-one
CAS:	24634-02-4
Synonyms:	3-chloro-5-methoxy-2H-isoquinolin-1-one; 3-chloro-5-methoxy-2H-isoquinolin-1-one

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-5-methoxy-2H-isoquinolin-1-one
Description:	3-chloro-5-methoxy-1,2-dihydroisoquinolin-1-one (CAS# 24634-02-4 ) is a useful research chemical.
Molecular Weight:	209.629
Molecular Formula:	C10H8ClNO2
Canonical SMILES:	COC1=CC=CC2=C1C=C(NC2=O)Cl
InChI:	InChI=1S/C10H8ClNO2/c1-14-8-4-2-3-6-7(8)5-9(11)12-10(6)13/h2-5H,1H3,(H,12,13)
InChI Key:	PWJYFMPMNIYTGR-UHFFFAOYSA-N
LogP:	2.19010

Publication Number	Title	Priority Date
AU-2014320149-A1	3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use	20130911
CA-2922469-A1	3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use	20130911
DK-3044221-T3	3-aryl-5-substituted-isoquinolin-1-on compounds and therapeutic application thereof	20130911
EP-3044221-B1	3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use	20130911
JP-2016531153-A	3-Aryl-5-substituted isoquinolin-1-one compounds and therapeutic uses thereof	20130911

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Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.0243562
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.0243562
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1