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Ethyl 4-Chloro-6-methylquinoline-3-carboxylate

Ethyl 4-Chloro-6-methylquinoline-3-carboxylate - CAS 56824-87-4

Catalog:	BB029496
Product Name:	Ethyl 4-Chloro-6-methylquinoline-3-carboxylate
CAS:	56824-87-4
Synonyms:	4-chloro-6-methyl-3-quinolinecarboxylic acid ethyl ester; ethyl 4-chloro-6-methylquinoline-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4-chloro-6-methylquinoline-3-carboxylate
Description:	Ethyl 4-Chloro-6-methylquinoline-3-carboxylate (CAS# 56824-87-4) is a useful research chemical.
Molecular Weight:	249.69
Molecular Formula:	C13H12ClNO2
Canonical SMILES:	CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)C
InChI:	InChI=1S/C13H12ClNO2/c1-3-17-13(16)10-7-15-11-5-4-8(2)6-9(11)12(10)14/h4-7H,3H2,1-2H3
InChI Key:	GSIDXMVQPNWNIR-UHFFFAOYSA-N
Boiling Point:	346.4 °C at 760 mmHg
Density:	1.252 g/cm³
MDL:	MFCD00173357
LogP:	3.37330

Publication Number	Title	Priority Date
CN-101143845-A	Substituted quinoline formyl guanidine derivative, its preparation method and medical use	20071015
CN-101143845-B	Substituted quinoline formyl guanidine derivative, its preparation method and medical use	20071015
AU-2008261888-A1	Therapeutic pyrazoloquinoline urea derivatives	20070608
CA-2688405-A1	Therapeutic pyrazoloquinoline urea derivatives	20070608
CN-101686682-A	therapeutic pyrazoloquinoline urea derivatives	20070608

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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