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A1BUD

Summary
Name:(7P)-7-[3-(aminomethyl)phenyl]-6-fluoro-4-methylquinolin-2-amine
Formula:C17 H16 F N3
Formal charge:0
Formula weight:281.327 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(7P)-7-[3-(aminomethyl)phenyl]-6-fluoro-4-methylquinolin-2-amine
OpenEye OEToolkits3.1.0.07-[3-(aminomethyl)phenyl]-6-fluoranyl-4-methyl-quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NCc1cccc(c1)c1cc2nc(N)cc(C)c2cc1F
InChIInChI1.06InChI=1S/C17H16FN3/c1-10-5-17(20)21-16-8-14(15(18)7-13(10)16)12-4-2-3-11(6-12)9-19/h2-8H,9,19H2,1H3,(H2,20,21)
InChIKeyInChI1.06OGRNQPGTGYGULL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(N)nc2cc(c(F)cc12)c3cccc(CN)c3
SMILESCACTVS3.385Cc1cc(N)nc2cc(c(F)cc12)c3cccc(CN)c3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cc(nc2c1cc(c(c2)c3cccc(c3)CN)F)N
SMILESOpenEye OEToolkits3.1.0.0Cc1cc(nc2c1cc(c(c2)c3cccc(c3)CN)F)N

250359

PDB entries from 2026-03-11

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