N-(4-((3-Bromophenyl)Amino)--6-Quinazolinyl)-4-(Dimethylamino)-2-Butenamide

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Properties Simple | Detailed

Formula C20H20BrN5O
IUPAC Name (e)-n-[4-(3-bromoanilino)quinazolin-6-yl]-4-(dimethylamino)but-2-enamide
Molecular Mass 426.310 g·mol−1
Heat of Formation 256.1 ± 16.7 kJ·mol−1
Dipole Moment 10.26 ± 1.08 D
Volume 450.38 Å 3
Surface Area 416.2 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-n-[4-[(3-bromophenyl)amino]-6-quinazolinyl]-4-dimethylaminobut-2-enamide
  • (e)-n-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-dimethylamino-but-2-enamide
  • (e)-n-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-dimethylaminobut-2-enamide
  • 4-anilinoquinazoline deriv. 16a
InChIKey ZCIXBBSRVLSRJQ-QPJJXVBHSA-N
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Elements H C O Br N