Formula |
C24H24N6O3 |
IUPAC Name |
n-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide |
Molecular Mass |
444.486 g·mol−1 |
Heat of Formation |
81.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.13 ± 1.08 D |
Volume |
513.23 Å 3 |
Surface Area |
450.26 Å 2 |
HOMO Energy |
-8.40 ± 0.55 eV |
LUMO Energy |
2.14 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]-n-(1,2-oxazol-3-yl)benzamide
- n-(3-isoxazolyl)-4-methyl-3-[6-(4-methyl-1-piperazinyl)-4-oxo-3-quinazolinyl]benzamide
- n-isoxazol-3-yl-3-[4-keto-6-(4-methylpiperazin-1-yl)quinazolin-3-yl]-4-methyl-benzamide
- n-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide
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InChIKey |
SWLHHASUIJPBPZ-UHFFFAOYSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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