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7-Chloro-2-methyl-quinoline-3-carboxylic acid ethyl ester

7-Chloro-2-methyl-quinoline-3-carboxylic acid ethyl ester - CAS 733719-74-9

Catalog:	BB034834
Product Name:	7-Chloro-2-methyl-quinoline-3-carboxylic acid ethyl ester
CAS:	733719-74-9
Synonyms:	ethyl 7-chloro-2-methylquinoline-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 7-chloro-2-methylquinoline-3-carboxylate
Description:	7-Chloro-2-methyl-quinoline-3-carboxylic acid ethyl ester (CAS# 733719-74-9) is a useful research chemical.
Molecular Weight:	249.69
Molecular Formula:	C13H12ClNO2
Canonical SMILES:	CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)Cl)C
InChI:	InChI=1S/C13H12ClNO2/c1-3-17-13(16)11-6-9-4-5-10(14)7-12(9)15-8(11)2/h4-7H,3H2,1-2H3
InChI Key:	IQMPORCGKAHSDX-UHFFFAOYSA-N
Boiling Point:	340.4 °C at 760 mmHg
Density:	1.252 g/cm³
LogP:	3.37330

Publication Number	Title	Priority Date
EP-2024272-A2	Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same	20060510
JP-2009536657-A	Amide derivatives as ion channel ligands and pharmaceutical compositions and methods using the same	20060510
US-2012088746-A1	Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same	20060510
WO-2007133637-A2	Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same	20060510
HU-212967-B	Process for producing 7-chloro-quinaldine	19921228

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Related Functional Groups

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GHS Hazard Statement:	H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264+P265, P280, P305+P354+P338, and P317
Signal Word:	Danger

Complexity:	285
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.0556563
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.0556563
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4