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

View entire compound with spectra: 2 NMR

2-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-quinolinecarboxamide
SpectraBase Compound ID 1ONhLKWliKu
InChI InChI=1S/C23H17N3O3/c27-23(25-13-15-4-3-9-24-12-15)18-11-20(26-19-6-2-1-5-17(18)19)16-7-8-21-22(10-16)29-14-28-21/h1-12H,13-14H2,(H,25,27)
InChIKey XEOADSDYUFWSFV-UHFFFAOYSA-N
Mol Weight 383.41 g/mol
Molecular Formula C23H17N3O3
Exact Mass 383.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LO7OQeLTDad
Name 2-(1,3-Benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.126991416 u
Formula C23H17N3O3
InChI InChI=1S/C23H17N3O3/c27-23(25-13-15-4-3-9-24-12-15)18-11-20(26-19-6-2-1-5-17(18)19)16-7-8-21-22(10-16)29-14-28-21/h1-12H,13-14H2,(H,25,27)
InChIKey XEOADSDYUFWSFV-UHFFFAOYSA-N
Molecular Weight 383.407 g/mol
SMILES N(CC1=CN=CC=C1)C(C1=CC(C2=CC=3OCOC3C=C2)=NC=2C1=CC=CC2)=O