Methyl Quinoline-3-carboxylate - CAS 53951-84-1

Catalog:	BB028413
Product Name:	Methyl Quinoline-3-carboxylate
CAS:	53951-84-1
Synonyms:	3-quinolinecarboxylic acid methyl ester; methyl quinoline-3-carboxylate

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Computed Properties

IUPAC Name:	methyl quinoline-3-carboxylate
Description:	Methyl Quinoline-3-carboxylate (CAS# 53951-84-1) is a useful research chemical.
Molecular Weight:	187.19
Molecular Formula:	C11H9NO2
Canonical SMILES:	COC(=O)C1=CC2=CC=CC=C2N=C1
InChI:	InChI=1S/C11H9NO2/c1-14-11(13)9-6-8-4-2-3-5-10(8)12-7-9/h2-7H,1H3
InChI Key:	CWRATHCADZOYAT-UHFFFAOYSA-N
Boiling Point:	294.5 °C at 760 mmHg
Density:	1.21 g/cm³
MDL:	MFCD03550859
LogP:	2.02140

Publication Number	Title	Priority Date
CN-111732540-A	Preparation method of roximelic	20200720
CN-111732540-B	Preparation method of roximelic	20200720
WO-2020243423-A1	Tead inhibitors and uses thereof	20190531
TW-202033523-A	Substituted polycyclic carboxylic acids, analogues thereof, and methods using same	20190117
CN-113302175-A	Bicyclic compounds	20181109

PMID	Publication Date	Title	Journal
15246094	20040801	Synthesis and antimycobacterial activities of ring-substituted quinolinecarboxylic acid/ester analogues. Part 1	Bioorganic & medicinal chemistry

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Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.06332853
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2