4-{[(7-Bromo-4-Hydroxy-2-Methylquinazolin-6-Yl)Methyl](Prop-2-Yn-1-Yl)Amino}-N-(Pyridin-3-Ylmethyl)Benzamide

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Properties Simple | Detailed

Formula C26H23BrN5O2+
IUPAC Name 4-[(7-bromo-2-methyl-4-oxo-quinazolin-1-ium-3-id-6-yl)methyl-prop-2-ynyl-amino]-n-(3-pyridylmethyl)benzamide
Molecular Mass 517.397 g·mol−1
Heat of Formation 329.3 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 555.78 Å 3
Surface Area 479.65 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(7-bromo-2-methyl-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-n-(3-pyridylmethyl)benzamide
  • 4-[(7-bromo-2-methyl-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-n-(pyridin-3-ylmethyl)benzamide
  • 4-[(7-bromo-2-methyl-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynylamino]-n-(3-pyridylmethyl)benzamide
  • 4-[(7-bromo-2-methyl-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynylamino]-n-(pyridin-3-ylmethyl)benzamide
  • 4-[(7-bromo-4-keto-2-methyl-1h-quinazolin-6-yl)methyl-propargyl-amino]-n-(3-pyridylmethyl)benzamide
InChIKey SHNBLWMBWXIKMR-UHFFFAOYSA-N
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Elements H C O Br N