2-Methyl-3-{4-[3-(1-Pyrrolidinyl)Propoxy]Phenyl}-5-(Trifluoromethyl)-4(3H)-Quinazolinone

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Properties Simple | Detailed

Formula C23H24F3N3O2+
IUPAC Name 2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one
Molecular Mass 431.451 g·mol−1
Heat of Formation -769.5 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 484.67 Å 3
Surface Area 430.68 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-3-[4-(3-1-pyrrolidinylpropoxy)phenyl]-5-(trifluoromethyl)-4-quinazolinone
InChIKey DDDZBLNULGDPGA-UHFFFAOYSA-N
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