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4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-6-bromo-2-(4-methoxyphenyl)quinoline

View entire compound with spectra: 2 NMR

4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-6-bromo-2-(4-methoxyphenyl)quinoline
SpectraBase Compound ID K5hOXMX4ucJ
InChI InChI=1S/C29H26BrN3O4/c1-35-22-6-3-20(4-7-22)26-16-24(23-15-21(30)5-8-25(23)31-26)29(34)33-12-10-32(11-13-33)17-19-2-9-27-28(14-19)37-18-36-27/h2-9,14-16H,10-13,17-18H2,1H3
InChIKey NWOVIAPDVOTLMI-UHFFFAOYSA-N
Mol Weight 560.45 g/mol
Molecular Formula C29H26BrN3O4
Exact Mass 559.110669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7dRcQ4S5IR
Name 4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-6-bromo-2-(4-methoxyphenyl)quinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 559.110669325 u
Formula C29H26BrN3O4
InChI InChI=1S/C29H26BrN3O4/c1-35-22-6-3-20(4-7-22)26-16-24(23-15-21(30)5-8-25(23)31-26)29(34)33-12-10-32(11-13-33)17-19-2-9-27-28(14-19)37-18-36-27/h2-9,14-16H,10-13,17-18H2,1H3
InChIKey NWOVIAPDVOTLMI-UHFFFAOYSA-N
Molecular Weight 560.448 g/mol
SMILES COC=1C=CC(C2=NC=3C(C(=C2)C(=O)N2CCN(CC2)CC2=CC=4OCOC4C=C2)=CC(=CC3)Br)=CC1