Canertinib

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Properties Simple | Detailed

Formula C24H25ClFN5O3
IUPAC Name (e)-acetyl-[4-(3-chloro-4-fluoro-anilino)-7-(3-morpholinopropoxy)-2h-quinazolin-6-ylidene]ammonium
Molecular Mass 485.938 g·mol−1
Heat of Formation -324.4 ± 16.7 kJ·mol−1
Dipole Moment 8.17 ± 1.08 D
Volume 552.84 Å 3
Surface Area 484.36 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
Synonyms
  • n-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-(morpholin-4-yl)propoxy)quinazolin-6-yl)prop-2-enamide
  • n-[4-[(3-chloro-4-fluoro-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
  • n-[4-[(3-chloro-4-fluoro-phenyl)amino]-7-(3-morpholinopropoxy)quinazolin-6-yl]acrylamide
  • n-[4-[(3-chloro-4-fluoro-phenyl)amino]-7-(3-morpholinopropoxy)quinazolin-6-yl]prop-2-enamide
  • n-[4-[(3-chloro-4-fluorophenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
  • n-[4-[(3-chloro-4-fluorophenyl)amino]-7-(3-morpholinopropoxy)-6-quinazolinyl]prop-2-enamide
CAS Number(s)
  • 267243-28-7
InChIKey OMZCMEYTWSXEPZ-UHFFFAOYSA-N
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