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

View entire compound with spectra: 2 NMR

4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-2-(4-isopropylphenyl)quinoline
SpectraBase Compound ID A0SmYUaI3Ix
InChI InChI=1S/C31H31N3O3/c1-21(2)23-8-10-24(11-9-23)28-18-26(25-5-3-4-6-27(25)32-28)31(35)34-15-13-33(14-16-34)19-22-7-12-29-30(17-22)37-20-36-29/h3-12,17-18,21H,13-16,19-20H2,1-2H3
InChIKey QIBVGPLAFKURJH-UHFFFAOYSA-N
Mol Weight 493.61 g/mol
Molecular Formula C31H31N3O3
Exact Mass 493.236542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8yEkvglXUlz
Name 4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-2-(4-isopropylphenyl)quinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.236541867 u
Formula C31H31N3O3
InChI InChI=1S/C31H31N3O3/c1-21(2)23-8-10-24(11-9-23)28-18-26(25-5-3-4-6-27(25)32-28)31(35)34-15-13-33(14-16-34)19-22-7-12-29-30(17-22)37-20-36-29/h3-12,17-18,21H,13-16,19-20H2,1-2H3
InChIKey QIBVGPLAFKURJH-UHFFFAOYSA-N
Molecular Weight 493.607 g/mol
SMILES C1=CC=C2C(=CC(C=3C=CC(=CC3)C(C)C)=NC2=C1)C(=O)N1CCN(CC1)CC1=CC=2OCOC2C=C1