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3-((2-Oxo-1-(((2-oxo-1,2-dihydroquinolin-3-yl)methylene)- amino)-5-(p-tolyl)-1,2-dihydro-3H-pyrrol-3-ylidene)methyl)quinolin-2(1H)-one
SpectraBase Compound ID AW1hIFzgifO
InChI InChI=1S/C31H22N4O3/c1-19-10-12-20(13-11-19)28-17-24(16-23-14-21-6-2-4-8-26(21)33-29(23)36)31(38)35(28)32-18-25-15-22-7-3-5-9-27(22)34-30(25)37/h2-18H,1H3,(H,33,36)(H,34,37)
InChIKey JZNHYSCHCQQUEM-UHFFFAOYSA-N
Mol Weight 498.54 g/mol
Molecular Formula C31H22N4O3
Exact Mass 498.169191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4actKYzeW6Q
Name 3-((2-Oxo-1-(((2-oxo-1,2-dihydroquinolin-3-yl)methylene)- amino)-5-(p-tolyl)-1,2-dihydro-3H-pyrrol-3-ylidene)methyl)quinolin-2(1H)-one
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H22N4O3
InChI InChI=1S/C31H22N4O3/c1-19-10-12-20(13-11-19)28-17-24(16-23-14-21-6-2-4-8-26(21)33-29(23)36)31(38)35(28)32-18-25-15-22-7-3-5-9-27(22)34-30(25)37/h2-18H,1H3,(H,33,36)(H,34,37)
InChIKey JZNHYSCHCQQUEM-UHFFFAOYSA-N
Instrument Name Thermo Scientific ISQ LT
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/jhet.4233
Molecular Weight 498.542 g/mol
SMILES N1c2ccccc2C=C(C=C2C(N(N=CC=3C(Nc4ccccc4C3)=O)C(=C2)c2ccc(cc2)C)=O)C1=O
SPLASH splash10-022i-2892500000-537fa90f7c0b4918b532
Source of Spectrum Y-58-SM43-16
Wiley ID 1880918