N-(3-Chloro-4-Fluorophenyl)-6-[2-(5,8-Dioxa-10-Azadispiro[2.0.4.3]Undec-10-Yl)Ethoxy]-7-Methoxy-4-Quinazolinamine

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Properties Simple | Detailed

Formula C25H26ClFN4O4
IUPAC Name n-(3-chloro-4-fluoro-phenyl)-6-[2-[(10s)-5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl]ethoxy]-7-methoxy-quinazolin-4-amine
Molecular Mass 500.950 g·mol−1
Heat of Formation -450.6 ± 16.7 kJ·mol−1
Dipole Moment 9.09 ± 1.08 D
Volume 565.19 Å 3
Surface Area 426.02 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (3-chloro-4-fluoro-phenyl)-[6-[2-(5,8-dioxa-10-azadispiro[2.0.4^{4}.3^{3}]undecan-10-yl)ethoxy]-7-methoxy-quinazolin-4-yl]amine
  • n-(3-chloro-4-fluoro-phenyl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.4^{4}.3^{3}]undecan-10-yl)ethoxy]-7-methoxy-quinazolin-4-amine
  • n-(3-chloro-4-fluorophenyl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.4^{4}.3^{3}]undecan-10-yl)ethoxy]-7-methoxy-4-quinazolinamine
  • n-(3-chloro-4-fluorophenyl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.4^{4}.3^{3}]undecan-10-yl)ethoxy]-7-methoxyquinazolin-4-amine
InChIKey OXWUWXCJDBRCCG-UHFFFAOYSA-N
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Elements C F H Cl O N