4-{[1-Methyl-2,4-Dioxo-6-(3-Phenyl-1-Propyn-1-Yl)-1,4-Dihydro-3(2H)-Quinazolinyl]Methyl}Benzoic Acid

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Formula C26H20N2O4++
IUPAC Name 4-[[1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid
Molecular Mass 424.448 g·mol−1
Heat of Formation -222.1 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 493.35 Å 3
Surface Area 441.56 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)-3-quinazolinyl]methyl]benzoic acid
  • 4-[[2,4-diketo-1-methyl-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid
  • gg1
InChIKey FLTYDFYSVZBKOB-UHFFFAOYSA-N
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