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9OS

Summary
Name:7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
Formula:C19 H22 N4 O
Formal charge:0
Formula weight:322.404 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c13c(ccc(N)n1)ccc(CNCCCc2cnccc2OC)c3
InChIInChI1.03InChI=1S/C19H22N4O/c1-24-18-8-10-22-13-16(18)3-2-9-21-12-14-4-5-15-6-7-19(20)23-17(15)11-14/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23)
InChIKeyInChI1.03IQPCOMIHSUSLGC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccncc1CCCNCc2ccc3ccc(N)nc3c2
SMILESCACTVS3.385COc1ccncc1CCCNCc2ccc3ccc(N)nc3c2
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N
SMILESOpenEye OEToolkits2.0.6COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N

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PDB entries from 2024-07-10

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