(6E)-4-Fluoro-6-[4-{[4-(2-Hydroxy-2-Propanyl)-3-Pyrrolidinyl]Amino}-6,7-Dimethoxy-2(1H)-Quinazolinylidene]-2,4-Cyclohexadien-1-One
Properties
Property | Value |
---|---|
Formula | C23H27FN4O4 |
IUPAC Name | (6z)-4-fluoro-6-[4-[[(3s,4r)-4-(1-hydroxy-1-methyl-ethyl)pyrrolidin-3-yl]amino]-6,7-dimethoxy-1h-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one |
Molecular Mass | 442.483 g·mol−1 |
Heat of Formation | -580.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.52 ± 1.08 D |
Volume | 508.51 Å 3 |
Surface Area | 424.56 Å 2 |
HOMO Energy | -7.96 ± 0.55 eV |
LUMO Energy | -1.70 ± eV |
Point Group Symmetry | C1 |
InChIKey | IXTQNANZDPZION-GSOOIIRJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |