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

View entire compound with spectra: 2 NMR

N-[3-(aminocarbonyl)-5-isopropyl-2-thienyl]-2-(3-isobutoxyphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID LiWzSS14HDa
InChI InChI=1S/C28H29N3O3S/c1-16(2)15-34-19-9-7-8-18(12-19)24-13-21(20-10-5-6-11-23(20)30-24)27(33)31-28-22(26(29)32)14-25(35-28)17(3)4/h5-14,16-17H,15H2,1-4H3,(H2,29,32)(H,31,33)
InChIKey LWPLAUGBJSHTFX-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 C2ZSZtjViQY
Name N-[3-(Aminocarbonyl)-5-isopropyl-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 487.192962977 u
Formula C28H29N3O3S
InChI InChI=1S/C28H29N3O3S/c1-16(2)15-34-19-9-7-8-18(12-19)24-13-21(20-10-5-6-11-23(20)30-24)27(33)31-28-22(26(29)32)14-25(35-28)17(3)4/h5-14,16-17H,15H2,1-4H3,(H2,29,32)(H,31,33)
InChIKey LWPLAUGBJSHTFX-UHFFFAOYSA-N
Molecular Weight 487.618 g/mol
SMILES NC(C1=C(SC(=C1)C(C)C)NC(C=1C=C(C2=CC(OCC(C)C)=CC=C2)N=C2C1C=CC=C2)=O)=O