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6-bromo-N-(5-methyl-3-isoxazolyl)-2-(4-methylphenyl)-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

6-bromo-N-(5-methyl-3-isoxazolyl)-2-(4-methylphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID 2Mw1I1o7auf
InChI InChI=1S/C21H16BrN3O2/c1-12-3-5-14(6-4-12)19-11-17(16-10-15(22)7-8-18(16)23-19)21(26)24-20-9-13(2)27-25-20/h3-11H,1-2H3,(H,24,25,26)
InChIKey BUINKVDPRACLIU-UHFFFAOYSA-N
Mol Weight 422.28 g/mol
Molecular Formula C21H16BrN3O2
Exact Mass 421.04259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 61W66YurhRp
Name 6-Bromo-N-(5-methyl-3-isoxazolyl)-2-(4-methylphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.042589765 u
Formula C21H16BrN3O2
InChI InChI=1S/C21H16BrN3O2/c1-12-3-5-14(6-4-12)19-11-17(16-10-15(22)7-8-18(16)23-19)21(26)24-20-9-13(2)27-25-20/h3-11H,1-2H3,(H,24,25,26)
InChIKey BUINKVDPRACLIU-UHFFFAOYSA-N
Molecular Weight 422.282 g/mol
SMILES N(C1=NOC(=C1)C)C(C=1C=2C(=CC=C(C2)Br)N=C(C1)C1=CC=C(C=C1)C)=O