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6-Bromo-2-(3-methylphenyl)-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)quinoline

View entire compound with spectra: 2 NMR

6-Bromo-2-(3-methylphenyl)-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)quinoline
SpectraBase Compound ID Av7e7ucZLwK
InChI InChI=1S/C28H23BrF3N3O/c1-18-4-2-5-19(14-18)26-17-24(23-16-21(29)8-9-25(23)33-26)27(36)35-12-10-34(11-13-35)22-7-3-6-20(15-22)28(30,31)32/h2-9,14-17H,10-13H2,1H3
InChIKey CQBMZCMNLLFQBV-UHFFFAOYSA-N
Mol Weight 554.41 g/mol
Molecular Formula C28H23BrF3N3O
Exact Mass 553.09766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9RX3Q9RfM9b
Name 6-Bromo-2-(3-methylphenyl)-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)quinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 553.097659861 u
Formula C28H23BrF3N3O
InChI InChI=1S/C28H23BrF3N3O/c1-18-4-2-5-19(14-18)26-17-24(23-16-21(29)8-9-25(23)33-26)27(36)35-12-10-34(11-13-35)22-7-3-6-20(15-22)28(30,31)32/h2-9,14-17H,10-13H2,1H3
InChIKey CQBMZCMNLLFQBV-UHFFFAOYSA-N
Molecular Weight 554.411 g/mol
SMILES C1(C(N2CCN(CC2)C2=CC(C(F)(F)F)=CC=C2)=O)=C2C(C=CC(=C2)Br)=NC(=C1)C1=CC(C)=CC=C1