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Summary Geometry Related PDB entries

L93

Summary

Name:	6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C20 H19 F N2 O4
Formal charge:	0
Formula weight:	370.374 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
OpenEye OEToolkits	2.0.7	6-fluoranyl-~{N}-[(2~{R})-2-(2-methoxyphenoxy)propyl]-2-oxidanylidene-1~{H}-quinoline-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccccc1OC(C)CNC(=O)C1=CC(=O)Nc2ccc(F)cc21
InChI	InChI	1.06	InChI=1S/C20H19FN2O4/c1-12(27-18-6-4-3-5-17(18)26-2)11-22-20(25)15-10-19(24)23-16-8-7-13(21)9-14(15)16/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1
InChIKey	InChI	1.06	LZQQUMOUOYPMFQ-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccccc1O[C@H](C)CNC(=O)C2=CC(=O)Nc3ccc(F)cc23
SMILES	CACTVS	3.385	COc1ccccc1O[CH](C)CNC(=O)C2=CC(=O)Nc3ccc(F)cc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@H](CNC(=O)C1=CC(=O)Nc2c1cc(cc2)F)Oc3ccccc3OC
SMILES	OpenEye OEToolkits	2.0.7	CC(CNC(=O)C1=CC(=O)Nc2c1cc(cc2)F)Oc3ccccc3OC

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