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3-Quinolinecarboxamide, N-(2-bromophenyl)-1,2,5,6,7,8-hexahydro-1-(4-methoxyphenyl)-2,5-dioxo-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Quinolinecarboxamide, N-(2-bromophenyl)-1,2,5,6,7,8-hexahydro-1-(4-methoxyphenyl)-2,5-dioxo-
SpectraBase Compound ID 8SNnpzsRJJh
InChI InChI=1S/C23H19BrN2O4/c1-30-15-11-9-14(10-12-15)26-20-7-4-8-21(27)16(20)13-17(23(26)29)22(28)25-19-6-3-2-5-18(19)24/h2-3,5-6,9-13H,4,7-8H2,1H3,(H,25,28)
InChIKey LBRQDICNOVVVRI-UHFFFAOYSA-N
Mol Weight 467.32 g/mol
Molecular Formula C23H19BrN2O4
Exact Mass 466.05282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANCcM4sKxAK
Name 3-Quinolinecarboxamide, N-(2-bromophenyl)-1,2,5,6,7,8-hexahydro-1-(4-methoxyphenyl)-2,5-dioxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.052820096 u
Formula C23H19BrN2O4
InChI InChI=1S/C23H19BrN2O4/c1-30-15-11-9-14(10-12-15)26-20-7-4-8-21(27)16(20)13-17(23(26)29)22(28)25-19-6-3-2-5-18(19)24/h2-3,5-6,9-13H,4,7-8H2,1H3,(H,25,28)
InChIKey LBRQDICNOVVVRI-UHFFFAOYSA-N
Molecular Weight 467.319 g/mol
SMILES C1CCC=2N(C(C(=CC2C1=O)C(NC1=C(C=CC=C1)Br)=O)=O)C1=CC=C(C=C1)OC