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O87

Summary
Name:4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one
Formula:C21 H18 F3 N3 O2
Formal charge:0
Formula weight:401.382 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one
OpenEye OEToolkits2.0.74-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1cc(ccc1)C(F)(F)F
InChIInChI1.06InChI=1S/C21H18F3N3O2/c22-21(23,24)14-4-3-5-15(12-14)26-8-10-27(11-9-26)20(29)17-13-19(28)25-18-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2,(H,25,28)
InChIKeyInChI1.06NKHDYQSOEVSMNT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1cccc(c1)N2CCN(CC2)C(=O)C3=CC(=O)Nc4ccccc34
SMILESCACTVS3.385FC(F)(F)c1cccc(c1)N2CCN(CC2)C(=O)C3=CC(=O)Nc4ccccc34
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F

218853

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