Ethyl 2-Chloroquinoline-7-carboxylate - CAS 1374258-79-3

Catalog:	BB008565
Product Name:	Ethyl 2-Chloroquinoline-7-carboxylate
CAS:	1374258-79-3
Synonyms:	2-chloro-7-quinolinecarboxylic acid ethyl ester; ethyl 2-chloroquinoline-7-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-chloroquinoline-7-carboxylate
Description:	Ethyl 2-Chloroquinoline-7-carboxylate (CAS# 1374258-79-3 ) is a useful research chemical.
Molecular Weight:	235.67
Molecular Formula:	C12H10ClNO2
Canonical SMILES:	CCOC(=O)C1=CC2=C(C=C1)C=CC(=N2)Cl
InChI:	InChI=1S/C12H10ClNO2/c1-2-16-12(15)9-4-3-8-5-6-11(13)14-10(8)7-9/h3-7H,2H2,1H3
InChI Key:	PWBLMBXLGXIVHF-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	3.06490

Publication Number	Title	Priority Date
US-10253018-B2	Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof	20170525
US-2018362501-A1	Apoptosis Signal-Regulating Kinase 1 Inhibitors and Methods of Use Thereof	20170525
WO-2018218042-A1	Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof	20170525
AU-2011322117-A1	N1/N2-lactam acetyl-CoA carboxylase inhibitors	20101029
AU-2011322117-B2	N1/N2-lactam acetyl-CoA carboxylase inhibitors	20101029

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Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.0400063
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	235.0400063
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4