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2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-quinolinecarboxamide
SpectraBase Compound ID Hdm4GOSksCS
InChI InChI=1S/C27H20FN3O3S/c1-33-24-12-9-17(13-25(24)34-2)22-14-20(19-5-3-4-6-21(19)29-22)26(32)31-27-30-23(15-35-27)16-7-10-18(28)11-8-16/h3-15H,1-2H3,(H,30,31,32)
InChIKey KOAVNJNEAORMEB-UHFFFAOYSA-N
Mol Weight 485.53 g/mol
Molecular Formula C27H20FN3O3S
Exact Mass 485.120941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57u8SuXIHWc
Name 2-(3,4-Dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.120940850 u
Formula C27H20FN3O3S
InChI InChI=1S/C27H20FN3O3S/c1-33-24-12-9-17(13-25(24)34-2)22-14-20(19-5-3-4-6-21(19)29-22)26(32)31-27-30-23(15-35-27)16-7-10-18(28)11-8-16/h3-15H,1-2H3,(H,30,31,32)
InChIKey KOAVNJNEAORMEB-UHFFFAOYSA-N
Molecular Weight 485.533 g/mol
SMILES N(C(C=1C=C(C2=CC(OC)=C(C=C2)OC)N=C2C1C=CC=C2)=O)C1=NC(C=2C=CC(F)=CC2)=CS1