3-(2-Cyano-2-Propanyl)-N-{4-Methyl-3-[(3-Methyl-4-Oxo-3,4-Dihydro-6-Quinazolinyl)Amino]Phenyl}Benzamide

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Properties Simple | Detailed

Formula C27H25N5O2+
IUPAC Name 3-(1-cyano-1-methyl-ethyl)-n-[4-methyl-3-[(3-methyl-4-oxo-quinazolin-6-yl)amino]phenyl]benzamide
Molecular Mass 451.520 g·mol−1
Heat of Formation 72.9 ± 16.7 kJ·mol−1
Dipole Moment 7.74 ± 1.08 D
Volume 540.88 Å 3
Surface Area 473.56 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(1-cyano-1-methyl-ethyl)-n-[3-[(4-keto-3-methyl-quinazolin-6-yl)amino]-4-methyl-phenyl]benzamide
  • 3-(1-cyano-1-methyl-ethyl)-n-[4-methyl-3-[(3-methyl-4-oxo-quinazolin-6-yl)amino]phenyl]benzamide
  • 3-(1-cyano-1-methylethyl)-n-[4-methyl-3-[(3-methyl-4-oxo-6-quinazolinyl)amino]phenyl]benzamide
  • 3-(2-cyanopropan-2-yl)-n-[4-methyl-3-[(3-methyl-4-oxo-quinazolin-6-yl)amino]phenyl]benzamide
InChIKey ZGBGPEDJXCYQPH-UHFFFAOYSA-N
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