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N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide
SpectraBase Compound ID IfbbWx9tF5y
InChI InChI=1S/C22H15ClN2O3S/c23-21-8-7-20(29-21)17-10-15(14-3-1-2-4-16(14)25-17)22(26)24-11-13-5-6-18-19(9-13)28-12-27-18/h1-10H,11-12H2,(H,24,26)
InChIKey RACQJKLMNXRSHV-UHFFFAOYSA-N
Mol Weight 422.89 g/mol
Molecular Formula C22H15ClN2O3S
Exact Mass 422.049191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jdn1EOkoRmk
Name N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 422.049191222 u
Formula C22H15ClN2O3S
InChI InChI=1S/C22H15ClN2O3S/c23-21-8-7-20(29-21)17-10-15(14-3-1-2-4-16(14)25-17)22(26)24-11-13-5-6-18-19(9-13)28-12-27-18/h1-10H,11-12H2,(H,24,26)
InChIKey RACQJKLMNXRSHV-UHFFFAOYSA-N
Molecular Weight 422.886 g/mol
SMILES N(C(C=1C=C(C=2SC(Cl)=CC2)N=C2C1C=CC=C2)=O)CC1=CC=2OCOC2C=C1