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V4V

Summary
Name:7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:C23 H22 N4 O
Formal charge:0
Formula weight:370.447 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
OpenEye OEToolkits2.0.77-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c4(N)ccc1c(cc(cc1)COc2cc(ccc2)CNCc3ccccn3)n4
InChIInChI1.03InChI=1S/C23H22N4O/c24-23-10-9-19-8-7-18(13-22(19)27-23)16-28-21-6-3-4-17(12-21)14-25-15-20-5-1-2-11-26-20/h1-13,25H,14-16H2,(H2,24,27)
InChIKeyInChI1.03MZJVFMHLRQGSTA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc2ccc(COc3cccc(CNCc4ccccn4)c3)cc2n1
SMILESCACTVS3.385Nc1ccc2ccc(COc3cccc(CNCc4ccccn4)c3)cc2n1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccnc(c1)CNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N
SMILESOpenEye OEToolkits2.0.7c1ccnc(c1)CNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N

219869

PDB entries from 2024-05-15

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