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Ethyl 7-Isopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

Ethyl 7-Isopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylate - CAS 958334-16-2

Catalog:	BB041854
Product Name:	Ethyl 7-Isopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
CAS:	958334-16-2
Synonyms:	4-oxo-7-propan-2-yl-1H-quinoline-3-carboxylic acid ethyl ester; ethyl 4-oxo-7-propan-2-yl-1H-quinoline-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4-oxo-7-propan-2-yl-1H-quinoline-3-carboxylate
Description:	Ethyl 7-Isopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS# 958334-16-2 ) is a useful research chemical.
Molecular Weight:	259.30
Molecular Formula:	C15H17NO3
Canonical SMILES:	CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)C(C)C
InChI:	InChI=1S/C15H17NO3/c1-4-19-15(18)12-8-16-13-7-10(9(2)3)5-6-11(13)14(12)17/h5-9H,4H2,1-3H3,(H,16,17)
InChI Key:	JZTKDCZXPOLKFL-UHFFFAOYSA-N
LogP:	2.82820

Publication Number	Title	Priority Date
CA-2651871-A1	Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same	20060510
EP-2024272-A2	Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same	20060510
JP-2009536657-A	Amide derivatives as ion channel ligands and pharmaceutical compositions and methods using the same	20060510
US-2012088746-A1	Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same	20060510
WO-2007133637-A2	Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same	20060510

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Complexity:	400
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.1208434
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	259.1208434
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1