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N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]-2-(3-isobutoxyphenyl)-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]-2-(3-isobutoxyphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID IOT7oc5bsxJ
InChI InChI=1S/C34H31N3O2S/c1-5-23-13-15-24(16-14-23)32-22(4)40-34(29(32)19-35)37-33(38)28-18-31(36-30-12-7-6-11-27(28)30)25-9-8-10-26(17-25)39-20-21(2)3/h6-18,21H,5,20H2,1-4H3,(H,37,38)
InChIKey QXZRJSNZCYCOLC-UHFFFAOYSA-N
Mol Weight 545.7 g/mol
Molecular Formula C34H31N3O2S
Exact Mass 545.213698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5mc68jpmW6
Name N-[3-Cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]-2-(3-isobutoxyphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 545.213698422 u
Formula C34H31N3O2S
InChI InChI=1S/C34H31N3O2S/c1-5-23-13-15-24(16-14-23)32-22(4)40-34(29(32)19-35)37-33(38)28-18-31(36-30-12-7-6-11-27(28)30)25-9-8-10-26(17-25)39-20-21(2)3/h6-18,21H,5,20H2,1-4H3,(H,37,38)
InChIKey QXZRJSNZCYCOLC-UHFFFAOYSA-N
Molecular Weight 545.701 g/mol
SMILES N(C1=C(C(=C(C)S1)C=1C=CC(=CC1)CC)C#N)C(C1=CC(C2=CC(OCC(C)C)=CC=C2)=NC=2C1=CC=CC2)=O