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2-(4-bromophenyl)-N-[2-(4-{[2-(4-bromophenyl)-4-quinolinyl]carbonyl}-1-piperazinyl)ethyl]-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

2-(4-bromophenyl)-N-[2-(4-{[2-(4-bromophenyl)-4-quinolinyl]carbonyl}-1-piperazinyl)ethyl]-4-quinolinecarboxamide
SpectraBase Compound ID LebHhvxYuPV
InChI InChI=1S/C38H31Br2N5O2/c39-27-13-9-25(10-14-27)35-23-31(29-5-1-3-7-33(29)42-35)37(46)41-17-18-44-19-21-45(22-20-44)38(47)32-24-36(26-11-15-28(40)16-12-26)43-34-8-4-2-6-30(32)34/h1-16,23-24H,17-22H2,(H,41,46)
InChIKey UUHAWZDGITZAIQ-UHFFFAOYSA-N
Mol Weight 749.5 g/mol
Molecular Formula C38H31Br2N5O2
Exact Mass 747.084451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GWAFG4TU3pM
Name 2-(4-Bromophenyl)-N-[2-(4-{[2-(4-bromophenyl)-4-quinolinyl]carbonyl}-1-piperazinyl)ethyl]-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 747.084451256 u
Formula C38H31Br2N5O2
InChI InChI=1S/C38H31Br2N5O2/c39-27-13-9-25(10-14-27)35-23-31(29-5-1-3-7-33(29)42-35)37(46)41-17-18-44-19-21-45(22-20-44)38(47)32-24-36(26-11-15-28(40)16-12-26)43-34-8-4-2-6-30(32)34/h1-16,23-24H,17-22H2,(H,41,46)
InChIKey UUHAWZDGITZAIQ-UHFFFAOYSA-N
Molecular Weight 749.507 g/mol
SMILES N(C(C1=CC(C=2C=CC(Br)=CC2)=NC2=C1C=CC=C2)=O)CCN1CCN(C(C2=CC(C3=CC=C(C=C3)Br)=NC3=C2C=CC=C3)=O)CC1