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6-Chloro-2-methylquinoline-3-carboxylic acid ethyl ester

6-Chloro-2-methylquinoline-3-carboxylic acid ethyl ester - CAS 114858-39-8

Catalog:	BB003443
Product Name:	6-Chloro-2-methylquinoline-3-carboxylic acid ethyl ester
CAS:	114858-39-8
Synonyms:	ethyl 6-chloro-2-methylquinoline-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 6-chloro-2-methylquinoline-3-carboxylate
Description:	6-Chloro-2-methylquinoline-3-carboxylic acid ethyl ester (CAS# 114858-39-8) is a useful research chemical.
Molecular Weight:	249.69
Molecular Formula:	C13H12ClNO2
Canonical SMILES:	CCOC(=O)C1=C(N=C2C=CC(=CC2=C1)Cl)C
InChI:	InChI=1S/C13H12ClNO2/c1-3-17-13(16)11-7-9-6-10(14)4-5-12(9)15-8(11)2/h4-7H,3H2,1-2H3
InChI Key:	KZZFZNSEHULNFN-UHFFFAOYSA-N
Boiling Point:	340.4 °C at 760 mmHg
Purity:	95 %
Density:	1.252 g/cm³
LogP:	3.37330

Publication Number	Title	Priority Date
ES-2606724-A1	Synthesis of quinolines using catalysts based on carbon aerogels (Machine-translation by Google Translate, not legally binding)	20150924
ES-2606724-B1	Synthesis of quinolines using carbon aerogels based catalysts	20150924
US-2004009976-A1	Hypoglycemic imidazoline compounds	20020430
US-6410562-B1	Hypoglycemic imidazoline compounds	19981218
DE-69814012-T2	Hypoglycemic imidazoline derivatives	19971219

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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