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2-(4-Bromophenyl)-4-{[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl}quinoline

View entire compound with spectra: 2 NMR

2-(4-Bromophenyl)-4-{[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl}quinoline
SpectraBase Compound ID F9nlMZXLaRu
InChI InChI=1S/C24H20BrN5O/c25-18-8-6-17(7-9-18)22-16-20(19-4-1-2-5-21(19)28-22)23(31)29-12-14-30(15-13-29)24-26-10-3-11-27-24/h1-11,16H,12-15H2
InChIKey KFLCQPGTHGLREA-UHFFFAOYSA-N
Mol Weight 474.36 g/mol
Molecular Formula C24H20BrN5O
Exact Mass 473.085123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8uhokswpfT3
Name 2-(4-Bromophenyl)-4-{[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl}quinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.085123283 u
Formula C24H20BrN5O
InChI InChI=1S/C24H20BrN5O/c25-18-8-6-17(7-9-18)22-16-20(19-4-1-2-5-21(19)28-22)23(31)29-12-14-30(15-13-29)24-26-10-3-11-27-24/h1-11,16H,12-15H2
InChIKey KFLCQPGTHGLREA-UHFFFAOYSA-N
Molecular Weight 474.362 g/mol
SMILES C1(C(N2CCN(C3=NC=CC=N3)CC2)=O)=CC(C=2C=CC(=CC2)Br)=NC2=C1C=CC=C2