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4-hydroxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-octyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide

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4-hydroxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-octyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide
SpectraBase Compound ID J9iPdKt8Nir
InChI InChI=1S/C32H33N3O3S/c1-3-4-5-6-7-10-19-35-26-12-9-8-11-24(26)29(36)28(32(35)38)30(37)33-23-16-14-22(15-17-23)31-34-25-18-13-21(2)20-27(25)39-31/h8-9,11-18,20,36H,3-7,10,19H2,1-2H3,(H,33,37)
InChIKey DINHUIMGKQIYMY-UHFFFAOYSA-N
Mol Weight 539.7 g/mol
Molecular Formula C32H33N3O3S
Exact Mass 539.224263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZQTzmBK9Uq
Name 4-Hydroxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-octyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.224263106 u
Formula C32H33N3O3S
InChI InChI=1S/C32H33N3O3S/c1-3-4-5-6-7-10-19-35-26-12-9-8-11-24(26)29(36)28(32(35)38)30(37)33-23-16-14-22(15-17-23)31-34-25-18-13-21(2)20-27(25)39-31/h8-9,11-18,20,36H,3-7,10,19H2,1-2H3,(H,33,37)
InChIKey DINHUIMGKQIYMY-UHFFFAOYSA-N
Molecular Weight 539.694 g/mol
SMILES OC=1C2=C(N(C(C1C(NC1=CC=C(C3=NC=4C=CC(=CC4S3)C)C=C1)=O)=O)CCCCCCCC)C=CC=C2