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M46

Summary
Name:7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine
Formula:C20 H22 F N3
Formal charge:0
Formula weight:323.407 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-(2-{[3-(3-fluorophenyl)propyl]amino}ethyl)quinolin-2-amine
OpenEye OEToolkits1.9.27-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cccc(c1)CCCNCCc2cc3nc(ccc3cc2)N
InChIInChI1.03InChI=1S/C20H22FN3/c21-18-5-1-3-15(13-18)4-2-11-23-12-10-16-6-7-17-8-9-20(22)24-19(17)14-16/h1,3,5-9,13-14,23H,2,4,10-12H2,(H2,22,24)
InChIKeyInChI1.03ZCQVAHWJMSLTRU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc2ccc(CCNCCCc3cccc(F)c3)cc2n1
SMILESCACTVS3.385Nc1ccc2ccc(CCNCCCc3cccc(F)c3)cc2n1
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N
SMILESOpenEye OEToolkits1.9.2c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N

222624

PDB entries from 2024-07-17

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