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Summary Geometry Related PDB entries

QVU

Summary

Name:	(4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:	C18 H14 Cl2 N4 O
Formal charge:	0
Formula weight:	373.236 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
OpenEye OEToolkits	2.0.7	(4~{R})-6,7-bis(chloranyl)-~{N}-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cncc2cnccc21
InChI	InChI	1.06	InChI=1S/C18H14Cl2N4O/c19-14-5-13-12(2-4-23-16(13)6-15(14)20)18(25)24-17-9-22-8-10-7-21-3-1-11(10)17/h1,3,5-9,12,23H,2,4H2,(H,24,25)/t12-/m1/s1
InChIKey	InChI	1.06	RQFXRLLVVUPDMA-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cc2NCC[C@@H](C(=O)Nc3cncc4cnccc34)c2cc1Cl
SMILES	CACTVS	3.385	Clc1cc2NCC[CH](C(=O)Nc3cncc4cnccc34)c2cc1Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cncc2c1c(cnc2)NC(=O)[C@@H]3CCNc4c3cc(c(c4)Cl)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cncc2c1c(cnc2)NC(=O)C3CCNc4c3cc(c(c4)Cl)Cl

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