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N-[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

N-[3-(aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID AlbBvKw2lun
InChI InChI=1S/C29H29N3O4S/c1-35-23-14-13-17(15-24(23)36-2)22-16-20(18-9-7-8-11-21(18)31-22)28(34)32-29-26(27(30)33)19-10-5-3-4-6-12-25(19)37-29/h7-9,11,13-16H,3-6,10,12H2,1-2H3,(H2,30,33)(H,32,34)
InChIKey KQTZTONSYCRYQK-UHFFFAOYSA-N
Mol Weight 515.63 g/mol
Molecular Formula C29H29N3O4S
Exact Mass 515.187878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CoRvRNUQrVX
Name N-[3-(Aminocarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[B]thien-2-yl]-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 515.187877596 u
Formula C29H29N3O4S
InChI InChI=1S/C29H29N3O4S/c1-35-23-14-13-17(15-24(23)36-2)22-16-20(18-9-7-8-11-21(18)31-22)28(34)32-29-26(27(30)33)19-10-5-3-4-6-12-25(19)37-29/h7-9,11,13-16H,3-6,10,12H2,1-2H3,(H2,30,33)(H,32,34)
InChIKey KQTZTONSYCRYQK-UHFFFAOYSA-N
Molecular Weight 515.628 g/mol
SMILES NC(C1=C(SC=2CCCCCCC12)NC(C=1C=C(C2=CC(OC)=C(C=C2)OC)N=C2C1C=CC=C2)=O)=O