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

8J1

Summary
Name:4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine
Formula:C19 H21 N3 O
Formal charge:0
Formula weight:307.39 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine
OpenEye OEToolkits2.0.64-methyl-7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Nc2nc1cc(ccc1c(c2)C)COc3cc(ccc3)CNC
InChIInChI1.03InChI=1S/C19H21N3O/c1-13-8-19(20)22-18-10-15(6-7-17(13)18)12-23-16-5-3-4-14(9-16)11-21-2/h3-10,21H,11-12H2,1-2H3,(H2,20,22)
InChIKeyInChI1.03XVIFXVGFIDKFPS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNCc1cccc(OCc2ccc3c(C)cc(N)nc3c2)c1
SMILESCACTVS3.385CNCc1cccc(OCc2ccc3c(C)cc(N)nc3c2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(nc2c1ccc(c2)COc3cccc(c3)CNC)N
SMILESOpenEye OEToolkits2.0.6Cc1cc(nc2c1ccc(c2)COc3cccc(c3)CNC)N

220113

PDB entries from 2024-05-22

PDB statisticsPDBj update infoContact PDBjnumon