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

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2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID 3wFp9X7EFe
InChI InChI=1S/C25H20N2O5/c1-29-16-8-9-20(23(12-16)30-2)27-25(28)18-13-21(26-19-6-4-3-5-17(18)19)15-7-10-22-24(11-15)32-14-31-22/h3-13H,14H2,1-2H3,(H,27,28)
InChIKey LQCWSRFTUGDGDU-UHFFFAOYSA-N
Mol Weight 428.44 g/mol
Molecular Formula C25H20N2O5
Exact Mass 428.137222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 18Nz4qJdqSx
Name 2-(1,3-Benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 428.137221747 u
Formula C25H20N2O5
InChI InChI=1S/C25H20N2O5/c1-29-16-8-9-20(23(12-16)30-2)27-25(28)18-13-21(26-19-6-4-3-5-17(18)19)15-7-10-22-24(11-15)32-14-31-22/h3-13H,14H2,1-2H3,(H,27,28)
InChIKey LQCWSRFTUGDGDU-UHFFFAOYSA-N
Molecular Weight 428.444 g/mol
SMILES N(C=1C(=CC(=CC1)OC)OC)C(C1=CC(C2=CC=3OCOC3C=C2)=NC=2C1=CC=CC2)=O