5-{4-[(6,7-Dimethoxy-4-Quinolinyl)Oxy]-3-Fluorophenyl}-2-[(4-Fluorophenyl)Amino]-3-Methyl-4(3H)-Pyrimidinone

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Properties Simple | Detailed

Formula C28H22F2N4O4+
IUPAC Name 5-[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluoro-phenyl]-2-(4-fluoroanilino)-3-methyl-pyrimidin-3-ium-5-id-4-one
Molecular Mass 516.495 g·mol−1
Heat of Formation -473.5 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 568.97 Å 3
Surface Area 503.54 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-phenyl]-2-[(4-fluorophenyl)amino]-3-methyl-pyrimidin-4-one
  • 5-[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluoro-phenyl]-2-[(4-fluorophenyl)amino]-3-methyl-pyrimidin-4-one
  • 5-[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluorophenyl]-2-[(4-fluorophenyl)amino]-3-methyl-4-pyrimidinone
InChIKey DUTNABYDBFVZOA-UHFFFAOYSA-N
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