N-{4-Methyl-3-[6-(4-Methyl-1-Piperazinyl)-4-Oxo-3(4H)-Quinazolinyl]Phenyl}-2-(4-Morpholinyl)Isonicotinamide

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Properties Simple | Detailed

Formula C30H33N7O3
IUPAC Name n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]phenyl]-2-morpholino-pyridine-4-carboxamide
Molecular Mass 539.628 g·mol−1
Heat of Formation -52.7 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 628.09 Å 3
Surface Area 540.87 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • n-[3-[4-keto-6-(4-methylpiperazin-1-yl)quinazolin-3-yl]-4-methyl-phenyl]-2-morpholino-isonicotinamide
  • n-[4-methyl-3-[6-(4-methyl-1-piperazinyl)-4-oxo-3-quinazolinyl]phenyl]-2-morpholino-4-pyridinecarboxamide
  • n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide
  • n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]phenyl]-2-morpholino-pyridine-4-carboxamide
InChIKey BLSPWFIREKMTOA-UHFFFAOYSA-N
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