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OSD

Summary
Name:7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine
Formula:C20 H23 N3 O
Formal charge:0
Formula weight:321.416 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine
OpenEye OEToolkits2.0.77-[3-(aminomethyl)-4-propan-2-yloxy-phenyl]-4-methyl-quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OC(C)C)CN
InChIInChI1.03InChI=1S/C20H23N3O/c1-12(2)24-19-7-5-14(9-16(19)11-21)15-4-6-17-13(3)8-20(22)23-18(17)10-15/h4-10,12H,11,21H2,1-3H3,(H2,22,23)
InChIKeyInChI1.03RMUSFJBGBOTWMV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)Oc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2
SMILESCACTVS3.385CC(C)Oc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N
SMILESOpenEye OEToolkits2.0.7Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N

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PDB entries from 2024-07-24

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