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N-[3-(aminocarbonyl)-5-isopropyl-2-thienyl]-2-(3-butoxyphenyl)-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

N-[3-(aminocarbonyl)-5-isopropyl-2-thienyl]-2-(3-butoxyphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID 1d9za70S5CK
InChI InChI=1S/C28H29N3O3S/c1-4-5-13-34-19-10-8-9-18(14-19)24-15-21(20-11-6-7-12-23(20)30-24)27(33)31-28-22(26(29)32)16-25(35-28)17(2)3/h6-12,14-17H,4-5,13H2,1-3H3,(H2,29,32)(H,31,33)
InChIKey GKMIXHXSHCRBDP-UHFFFAOYSA-N
Mol Weight 487.62 g/mol
Molecular Formula C28H29N3O3S
Exact Mass 487.192963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UfndrecVJP
Name N-[3-(Aminocarbonyl)-5-isopropyl-2-thienyl]-2-(3-butoxyphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.192962977 u
Formula C28H29N3O3S
InChI InChI=1S/C28H29N3O3S/c1-4-5-13-34-19-10-8-9-18(14-19)24-15-21(20-11-6-7-12-23(20)30-24)27(33)31-28-22(26(29)32)16-25(35-28)17(2)3/h6-12,14-17H,4-5,13H2,1-3H3,(H2,29,32)(H,31,33)
InChIKey GKMIXHXSHCRBDP-UHFFFAOYSA-N
Molecular Weight 487.618 g/mol
SMILES NC(C1=C(SC(=C1)C(C)C)NC(C=1C=C(C2=CC(OCCCC)=CC=C2)N=C2C1C=CC=C2)=O)=O