Ethyl 4-Oxo-1,4-Dihydropyrimido[4,5-B]Quinoline-2-Carboxylate

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Properties Simple | Detailed

Formula C14H11N3O3
IUPAC Name ethyl 4-oxo-1h-pyrimido[4,5-b]quinoline-2-carboxylate
Molecular Mass 269.255 g·mol−1
Heat of Formation -187.6 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 296.49 Å 3
Surface Area 285.49 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 4-keto-1h-pyrimido[6,5-b]quinoline-2-carboxylic acid ethyl ester
  • 4-oxo-1h-pyrimido[6,5-b]quinoline-2-carboxylic acid ethyl ester
  • ethyl 3,4-dihydro-4-oxopyrimido(4,5-b)quinoline-2-carboxylate
  • ethyl 4-oxo-1h-pyrimido[6,5-b]quinoline-2-carboxylate
  • pyrimido(4,5-b)quinoline-2-carboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
CAS Number(s)
  • 55149-04-7
InChIKey JBRDALJZMUEMPV-UHFFFAOYSA-N
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