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VOA

Summary

Name:	N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide
Formula:	C20 H19 Cl N4 O2
Formal charge:	0
Formula weight:	382.843 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide
OpenEye OEToolkits	3.1.0.0	(2~{S})-~{N}-(6-chloranylpyridin-3-yl)-2-(2,4-dihydro-1~{H}-pyrano[3,4-c]quinolin-9-ylamino)propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Clc1ccc(cn1)NC(=O)C(C)Nc1cc2c3CCOCc3cnc2cc1
InChI	InChI	1.06	InChI=1S/C20H19ClN4O2/c1-12(20(26)25-15-3-5-19(21)23-10-15)24-14-2-4-18-17(8-14)16-6-7-27-11-13(16)9-22-18/h2-5,8-10,12,24H,6-7,11H2,1H3,(H,25,26)/t12-/m0/s1
InChIKey	InChI	1.06	KABILIUXKOMPNU-LBPRGKRZSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H](Nc1ccc2ncc3COCCc3c2c1)C(=O)Nc4ccc(Cl)nc4
SMILES	CACTVS	3.385	C[CH](Nc1ccc2ncc3COCCc3c2c1)C(=O)Nc4ccc(Cl)nc4
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	C[C@@H](C(=O)Nc1ccc(nc1)Cl)Nc2ccc3c(c2)c4c(cn3)COCC4
SMILES	OpenEye OEToolkits	3.1.0.0	CC(C(=O)Nc1ccc(nc1)Cl)Nc2ccc3c(c2)c4c(cn3)COCC4

250359

PDB entries from 2026-03-11

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