7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid - CAS 312713-96-5

Name: 7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020853
Product Name:	7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CAS:	312713-96-5
Synonyms:	7-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

Technical Data

IUPAC Name:	7-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
Description:	7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CAS# 312713-96-5) is a useful research chemical.
Molecular Weight:	263.72
Molecular Formula:	C14H14ClNO2
Canonical SMILES:	CC1=C(C=CC2=C1NC(C3C2C=CC3)C(=O)O)Cl
InChI:	InChI=1S/C14H14ClNO2/c1-7-11(15)6-5-10-8-3-2-4-9(8)13(14(17)18)16-12(7)10/h2-3,5-6,8-9,13,16H,4H2,1H3,(H,17,18)
InChI Key:	XFHJYHWLYWRLBP-UHFFFAOYSA-N
Boiling Point:	424.7 °C at 760 mmHg
Purity:	95 %
Density:	1.316 g/cm³
MDL:	MFCD01047019
LogP:	3.32480

Publication Number	Title	Priority Date
US-2009118135-A1	Methods and compounds for regulating apoptosis	20070608
US-2007203236-A1	Novel antagonists of the human fatty acid synthase thioesterase	20060111
US-2010305121-A1	Novel antagonists of the human fatty acid synthase thioesterase	20060111

Complexity:	384
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.0713064
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	263.0713064
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.3
Undefined Atom Stereocenter Count:	3
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5