Formula |
C26H24ClFN4O |
IUPAC Name |
3-(2-chlorophenyl)-2-[(e)-2-[6-(diethylaminomethyl)-2-pyridyl]vinyl]-6-fluoro-quinazolin-4-one |
Molecular Mass |
462.946 g·mol−1 |
Heat of Formation |
35.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.52 ± 1.08 D |
Volume |
548.67 Å 3 |
Surface Area |
415.39 Å 2 |
HOMO Energy |
-8.74 ± 0.55 eV |
LUMO Energy |
1.89 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-(2-chlorophenyl)-2-[(e)-2-[6-(diethylaminomethyl)-2-pyridyl]vinyl]-6-fluoro-4-quinazolinone
- 3-(2-chlorophenyl)-2-[(e)-2-[6-(diethylaminomethyl)-2-pyridyl]vinyl]-6-fluoro-quinazolin-4-one
- 3-(2-chlorophenyl)-2-[(e)-2-[6-(diethylaminomethyl)pyridin-2-yl]ethenyl]-6-fluoro-quinazolin-4-one
- pdsp1_000236
- pdsp1_000237
- pdsp2_000235
- pdsp2_000236
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InChIKey |
HYHNPUGUPISSQO-FYWRMAATSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
C
F
H
Cl
O
N
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