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SummaryGeometryRelated PDB entries

A1BXV

Summary
Name:N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide
Formula:C19 H25 N3 O2
Formal charge:0
Formula weight:327.421 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide
OpenEye OEToolkits3.1.0.0~{N}-[4-(hydroxymethyl)-2-methyl-quinolin-8-yl]-3-piperidin-4-yl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cc1nc2c(cccc2NC(=O)CCC2CCNCC2)c(CO)c1
InChIInChI1.06InChI=1S/C19H25N3O2/c1-13-11-15(12-23)16-3-2-4-17(19(16)21-13)22-18(24)6-5-14-7-9-20-10-8-14/h2-4,11,14,20,23H,5-10,12H2,1H3,(H,22,24)
InChIKeyInChI1.06YOACLWXNCLINNH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(CO)c2cccc(NC(=O)CCC3CCNCC3)c2n1
SMILESCACTVS3.385Cc1cc(CO)c2cccc(NC(=O)CCC3CCNCC3)c2n1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cc(c2cccc(c2n1)NC(=O)CCC3CCNCC3)CO
SMILESOpenEye OEToolkits3.1.0.0Cc1cc(c2cccc(c2n1)NC(=O)CCC3CCNCC3)CO

249697

PDB entries from 2026-02-25

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