Methyl 4-Chloroquinoline-6-carboxylate - CAS 648449-01-8

Catalog:	BB032571
Product Name:	Methyl 4-Chloroquinoline-6-carboxylate
CAS:	648449-01-8
Synonyms:	4-chloro-6-quinolinecarboxylic acid methyl ester; methyl 4-chloroquinoline-6-carboxylate

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Computed Properties

IUPAC Name:	methyl 4-chloroquinoline-6-carboxylate
Description:	Methyl 4-Chloroquinoline-6-carboxylate (CAS# 648449-01-8 ) is a useful research chemical.
Molecular Weight:	221.64
Molecular Formula:	C11H8ClNO2
Canonical SMILES:	COC(=O)C1=CC2=C(C=CN=C2C=C1)Cl
InChI:	InChI=1S/C11H8ClNO2/c1-15-11(14)7-2-3-10-8(6-7)9(12)4-5-13-10/h2-6H,1H3
InChI Key:	LGAFXSKTJPIZMQ-UHFFFAOYSA-N
LogP:	2.67480

Publication Number	Title	Priority Date
WO-2020124515-A1	Quinoline derivative, preparation method and use thereof	20181221
CN-111670182-A	Quinoline derivatives, preparation method and application thereof	20181221
WO-2019148044-A1	Compounds for the treatment of kinase-dependent disorders	20180126
AU-2019212801-A1	Compounds for the treatment of kinase-dependent disorders	20180126
CN-111757735-A	Compounds for the treatment of kinase-dependent disorders	20180126

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.0243562
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	221.0243562
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7