N-{4-[(3-Bromophenyl)Amino]-6-Quinazolinyl}-2-Butynamide

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Properties Simple | Detailed

Formula C18H13BrN4O
IUPAC Name n-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide
Molecular Mass 381.226 g·mol−1
Heat of Formation 414.0 ± 16.7 kJ·mol−1
Dipole Moment 9.50 ± 1.08 D
Volume 381.66 Å 3
Surface Area 361.16 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 4-anilinoquinazoline deriv. 1
  • eki-785
  • n-[4-[(3-bromophenyl)amino]-6-quinazolinyl]-2-butynamide
  • n-[4-[(3-bromophenyl)amino]quinazolin-6-yl]but-2-ynamide
InChIKey BTYYWOYVBXILOJ-UHFFFAOYSA-N
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Elements H C O Br N