Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

9OM

Summary
Name:7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
Formula:C19 H22 N4
Formal charge:0
Formula weight:306.405 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
OpenEye OEToolkits2.0.67-[[3-(4-methylpyridin-3-yl)propylamino]methyl]quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Nc1ccc2c(n1)cc(cc2)CNCCCc3c(C)ccnc3
InChIInChI1.03InChI=1S/C19H22N4/c1-14-8-10-22-13-17(14)3-2-9-21-12-15-4-5-16-6-7-19(20)23-18(16)11-15/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23)
InChIKeyInChI1.03DURWIDBNTFVYBY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccncc1CCCNCc2ccc3ccc(N)nc3c2
SMILESCACTVS3.385Cc1ccncc1CCCNCc2ccc3ccc(N)nc3c2
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N
SMILESOpenEye OEToolkits2.0.6Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon