N-[4-({3-Chloro-4-[(3-Fluorobenzyl)Oxy]Phenyl}Amino)-6-Quinazolinyl]Acrylamide

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Formula C24H18ClFN4O2
IUPAC Name n-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide
Molecular Mass 448.877 g·mol−1
Heat of Formation -37.3 ± 16.7 kJ·mol−1
Dipole Moment 9.92 ± 1.08 D
Volume 495.9 Å 3
Surface Area 443.15 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[[3-chloro-4-(3-fluorobenzyl)oxy-phenyl]amino]quinazolin-6-yl]acrylamide
  • n-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]prop-2-enamide
  • n-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]quinazolin-6-yl]prop-2-enamide
InChIKey MVZGYPSXNDCANY-UHFFFAOYSA-N
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Elements C F H Cl O N