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2-(1,3-benzodioxol-5-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-quinolinecarboxamide

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2-(1,3-benzodioxol-5-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-quinolinecarboxamide
SpectraBase Compound ID LOaQnwLTctT
InChI InChI=1S/C26H15Cl2N3O3S/c27-15-6-7-17(19(28)10-15)22-12-35-26(30-22)31-25(32)18-11-21(29-20-4-2-1-3-16(18)20)14-5-8-23-24(9-14)34-13-33-23/h1-12H,13H2,(H,30,31,32)
InChIKey FHCHFSAZXHDTJC-UHFFFAOYSA-N
Mol Weight 520.39 g/mol
Molecular Formula C26H15Cl2N3O3S
Exact Mass 519.021118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zCx5hrgJP1
Name 2-(1,3-Benzodioxol-5-yl)-N-[4-(2,4-dichlorophenyl)-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 519.021117926 u
Formula C26H15Cl2N3O3S
InChI InChI=1S/C26H15Cl2N3O3S/c27-15-6-7-17(19(28)10-15)22-12-35-26(30-22)31-25(32)18-11-21(29-20-4-2-1-3-16(18)20)14-5-8-23-24(9-14)34-13-33-23/h1-12H,13H2,(H,30,31,32)
InChIKey FHCHFSAZXHDTJC-UHFFFAOYSA-N
Molecular Weight 520.390 g/mol
SMILES N(C(C1=CC(C=2C=C3OCOC3=CC2)=NC2=C1C=CC=C2)=O)C1=NC(C=2C(=CC(=CC2)Cl)Cl)=CS1