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9P1

Summary
Name:7-[({[4-(dimethylamino)phenyl]methyl}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-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine
OpenEye OEToolkits2.0.67-[[[4-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3(N)ccc2ccc(CNCc1ccc(cc1)N(C)C)cc2n3
InChIInChI1.03InChI=1S/C19H22N4/c1-23(2)17-8-4-14(5-9-17)12-21-13-15-3-6-16-7-10-19(20)22-18(16)11-15/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
InChIKeyInChI1.03JEOSSXMVBYPUED-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)c1ccc(CNCc2ccc3ccc(N)nc3c2)cc1
SMILESCACTVS3.385CN(C)c1ccc(CNCc2ccc3ccc(N)nc3c2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.6CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N
SMILESOpenEye OEToolkits2.0.6CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N

221371

PDB entries from 2024-06-19

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