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N-[3-(aminocarbonyl)-4-(4-tert-butylphenyl)-5-methyl-2-thienyl]-2-(3-propoxyphenyl)-4-quinolinecarboxamide

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N-[3-(aminocarbonyl)-4-(4-tert-butylphenyl)-5-methyl-2-thienyl]-2-(3-propoxyphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID 96dVMGhhH5H
InChI InChI=1S/C35H35N3O3S/c1-6-18-41-25-11-9-10-23(19-25)29-20-27(26-12-7-8-13-28(26)37-29)33(40)38-34-31(32(36)39)30(21(2)42-34)22-14-16-24(17-15-22)35(3,4)5/h7-17,19-20H,6,18H2,1-5H3,(H2,36,39)(H,38,40)
InChIKey RZXIOAKIZZPKQD-UHFFFAOYSA-N
Mol Weight 577.7 g/mol
Molecular Formula C35H35N3O3S
Exact Mass 577.239913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DtVJssGjCI
Name N-[3-(Aminocarbonyl)-4-(4-tert-butylphenyl)-5-methyl-2-thienyl]-2-(3-propoxyphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 577.239913170 u
Formula C35H35N3O3S
InChI InChI=1S/C35H35N3O3S/c1-6-18-41-25-11-9-10-23(19-25)29-20-27(26-12-7-8-13-28(26)37-29)33(40)38-34-31(32(36)39)30(21(2)42-34)22-14-16-24(17-15-22)35(3,4)5/h7-17,19-20H,6,18H2,1-5H3,(H2,36,39)(H,38,40)
InChIKey RZXIOAKIZZPKQD-UHFFFAOYSA-N
Molecular Weight 577.743 g/mol
SMILES NC(C1=C(SC(=C1C=1C=CC(C(C)(C)C)=CC1)C)NC(C=1C=C(C2=CC(OCCC)=CC=C2)N=C2C1C=CC=C2)=O)=O