238

6-CHLORO-2-(2'-FLUOROBIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID

Created:	2007-05-29
Last modified:	2011-06-04

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1 entries where 238 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	25

2D diagram of 238

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Chemical Component Summary
Name	6-CHLORO-2-(2'-FLUOROBIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	6-chloro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-quinoline-4-carboxylic acid
Formula	C₂₃ H₁₅ Cl F N O₂
Molecular Weight	391.822
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1ccccc1c4ccc(c2nc3ccc(Cl)cc3c(c2C)C(=O)O)cc4
SMILES	CACTVS	3.341	Cc1c(nc2ccc(Cl)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4F
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)Cl)C(=O)O
Canonical SMILES	CACTVS	3.341	Cc1c(nc2ccc(Cl)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4F
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)Cl)C(=O)O
InChI	InChI	1.03	InChI=1S/C23H15ClFNO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
InChIKey	InChI	1.03	JMFHBQIOFLEORU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13960674

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.