6-Methoxy-4-methylquinolin-2(1H)-one - CAS 5342-23-4

Name: 6-Methoxy-4-methylquinolin-2(1H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028212
Product Name:	6-Methoxy-4-methylquinolin-2(1H)-one
CAS:	5342-23-4
Synonyms:	6-methoxy-4-methyl-1H-quinolin-2-one; 6-methoxy-4-methyl-1H-quinolin-2-one

Technical Data

IUPAC Name:	6-methoxy-4-methyl-1H-quinolin-2-one
Description:	6-Methoxy-4-methylquinolin-2(1H)-one (CAS# 5342-23-4) is used in the synthesis of novel coumarin analogs which display nematicidal activity against five nematodes. Also used in the preparation of 4-methyl-2-oxo-1,2-dihydroquinolin-6-yl acetate which is an effective antiplatelet agent.
Molecular Weight:	189.21
Molecular Formula:	C11H11NO2
Canonical SMILES:	CC1=CC(=O)NC2=C1C=C(C=C2)OC
InChI:	InChI=1S/C11H11NO2/c1-7-5-11(13)12-10-4-3-8(14-2)6-9(7)10/h3-6H,1-2H3,(H,12,13)
InChI Key:	VGQWDNJRHAWUNX-UHFFFAOYSA-N
Boiling Point:	391.6 °C at 760 mmHg
Density:	1.153 g/cm³
MDL:	MFCD00760266
LogP:	2.25740

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2007114323-A1	Aminopyrrolidine compound	20060404
EP-1900732-A1	Novel nitrogenated heterocyclic compound and salt thereof	20050624
EP-2468743-A1	Nitrogen-containing bicyclic compounds useful as antibacterial agents	20050624
JP-5398984-B2	Novel nitrogen-containing heterocyclic compounds and salts thereof	20050624
JP-WO2006137485-A1	Novel nitrogen-containing heterocyclic compounds and salts thereof	20050624

Complexity:	273
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.078978594
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.078978594
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2