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2-(1,3-benzodioxol-5-yl)-N-(5-methyl-3-isoxazolyl)-4-quinolinecarboxamide

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2-(1,3-benzodioxol-5-yl)-N-(5-methyl-3-isoxazolyl)-4-quinolinecarboxamide
SpectraBase Compound ID Jpbb0jNzLkE
InChI InChI=1S/C21H15N3O4/c1-12-8-20(24-28-12)23-21(25)15-10-17(22-16-5-3-2-4-14(15)16)13-6-7-18-19(9-13)27-11-26-18/h2-10H,11H2,1H3,(H,23,24,25)
InChIKey WZIXLCNVYUJVMW-UHFFFAOYSA-N
Mol Weight 373.37 g/mol
Molecular Formula C21H15N3O4
Exact Mass 373.106256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 66cFSxctaJm
Name 2-(1,3-Benzodioxol-5-yl)-N-(5-methyl-3-isoxazolyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.106255971 u
Formula C21H15N3O4
InChI InChI=1S/C21H15N3O4/c1-12-8-20(24-28-12)23-21(25)15-10-17(22-16-5-3-2-4-14(15)16)13-6-7-18-19(9-13)27-11-26-18/h2-10H,11H2,1H3,(H,23,24,25)
InChIKey WZIXLCNVYUJVMW-UHFFFAOYSA-N
Molecular Weight 373.368 g/mol
SMILES N(C1=NOC(=C1)C)C(C1=CC(C2=CC=3OCOC3C=C2)=NC=2C1=CC=CC2)=O