(6E)-4-Fluoro-6-[4-{[4-(2-Hydroxy-2-Propanyl)-3-Pyrrolidinyl]Amino}-6,7-Dimethoxy-2(1H)-Quinazolinylidene]-2,4-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C23H28FN4O4
IUPAC Name 4-fluoro-6-[4-[[(3s,4r)-4-(1-hydroxy-1-methyl-ethyl)pyrrolidin-3-yl]amino]-6,7-dimethoxy-1h-quinazolin-3-ium-2-yl]cyclohexa-2,4-dien-1-one
Molecular Mass 443.491 g·mol−1
Heat of Formation -580.5 ± 16.7 kJ·mol−1
Dipole Moment 11.45 ± 1.08 D
Volume 507.58 Å 3
Surface Area 424.02 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
InChIKey IXTQNANZDPZION-GSOOIIRJSA-N
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