For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Butyl-10-(4-chloro-phenyl)-10H-pyrimido[4,5-b]quinoline-2,4-dione
SpectraBase Compound ID CSgfIjjmwN5
InChI InChI=1S/C21H18ClN3O2/c1-2-3-12-24-20(26)17-13-14-6-4-5-7-18(14)25(19(17)23-21(24)27)16-10-8-15(22)9-11-16/h4-11,13H,2-3,12H2,1H3
InChIKey NECRYMIQCSTGMC-UHFFFAOYSA-N
Mol Weight 379.85 g/mol
Molecular Formula C21H18ClN3O2
Exact Mass 379.108755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IVB2rNlQ2gg
Name 3-Butyl-10-(4-chloro-phenyl)-10H-pyrimido[4,5-b]quinoline-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClN3O2
InChI InChI=1S/C21H18ClN3O2/c1-2-3-12-24-20(26)17-13-14-6-4-5-7-18(14)25(19(17)23-21(24)27)16-10-8-15(22)9-11-16/h4-11,13H,2-3,12H2,1H3
InChIKey NECRYMIQCSTGMC-UHFFFAOYSA-N
Molecular Weight 379.847 g/mol
SMILES C1=2C(C(=O)N(C(N2)=O)CCCC)=Cc2c(N1c1ccc(cc1)Cl)cccc2
SPLASH splash10-009i-1349000000-9cda459d76c4def458fa
Synonyms 3-Butyl-10-(4-chlorophenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione 3-Butyl-10-(4-chlorophenyl)pyrimido[4,5-b]quinoline-2,4-dione 3-Butyl-10-(4-chlorophenyl)pyrimido[4,5-b]quinoline-2,4-quinone
Wiley ID 1451617