Dacomitinib

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Properties Simple | Detailed

Formula C24H25ClFN5O2
IUPAC Name (e)-n-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]-4-(1-piperidyl)but-2-enamide
Molecular Mass 469.939 g·mol−1
Heat of Formation -188.6 ± 16.7 kJ·mol−1
Dipole Moment 10.65 ± 1.08 D
Volume 534.66 Å 3
Surface Area 476.56 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-n-[4-[(3-chloro-4-fluoro-phenyl)amino]-7-methoxy-quinazolin-6-yl]-4-(1-piperidyl)but-2-enamide
  • (e)-n-[4-[(3-chloro-4-fluoro-phenyl)amino]-7-methoxy-quinazolin-6-yl]-4-piperidin-1-yl-but-2-enamide
  • (e)-n-[4-[(3-chloro-4-fluoro-phenyl)amino]-7-methoxy-quinazolin-6-yl]-4-piperidino-but-2-enamide
  • (e)-n-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidyl)but-2-enamide
  • (e)-n-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
InChIKey LVXJQMNHJWSHET-AATRIKPKSA-N
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Elements C F H Cl O N