N-(4-Bromo-2-Fluorophenyl)-6-Methoxy-7-[2-(1H-1,2,3-Triazol-1-Yl)Ethoxy]-4-Quinazolinamine

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Properties Simple | Detailed

Formula C19H19BrFN6O2
IUPAC Name n-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazolin-4-amine
Molecular Mass 462.296 g·mol−1
Heat of Formation 155.8 ± 16.7 kJ·mol−1
Dipole Moment 5.81 ± 1.08 D
Volume 460.61 Å 3
Surface Area 397.39 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (4-bromo-2-fluoro-phenyl)-[6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazolin-4-yl]amine
  • n-(4-bromo-2-fluoro-phenyl)-6-methoxy-7-[2-(1,2,3-triazol-1-yl)ethoxy]quinazolin-4-amine
  • n-(4-bromo-2-fluoro-phenyl)-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazolin-4-amine
  • n-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(1-triazolyl)ethoxy]-4-quinazolinamine
  • zd4190
InChIKey YBTGTVGEKMZEQX-UHFFFAOYSA-N
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Elements C F H O N Br