65Z

6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid

Created:	2016-02-02
Last modified:	2016-12-14

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1 entries where 65Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	17

2D diagram of 65Z

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Chemical Component Summary
Name	6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	6,8-bis(chloranyl)-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
Formula	C₂₁ H₁₈ Cl₂ N₂ O₂
Molecular Weight	401.286
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(CCCCC1)c2nc4c(cc(cc4c(c2C(=O)O)c3ccccc3)Cl)Cl
SMILES	CACTVS	3.385	OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1c3ccccc3)N4CCCCC4
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)c2c3cc(cc(c3nc(c2C(=O)O)N4CCCCC4)Cl)Cl
Canonical SMILES	CACTVS	3.385	OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1c3ccccc3)N4CCCCC4
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)c2c3cc(cc(c3nc(c2C(=O)O)N4CCCCC4)Cl)Cl
InChI	InChI	1.03	InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27)
InChIKey	InChI	1.03	CXDOFNPXCPTGNV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3971182
PubChem	71556353
ChEMBL	CHEMBL3971182

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