| Formula |
C30H33ClN4O2 |
| IUPAC Name |
(e)-n-(3-aminopropyl)-n-[(1r)-1-(7-chloro-3-isobutyl-4-oxo-4ah-quinazolin-1-ium-2-yl)-2-methyl-propyl]-2-ethyl-but-2-enamide |
| Molecular Mass |
517.062 g·mol−1 |
| Heat of Formation |
-140.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.24 ± 1.08 D |
| Volume |
625.7 Å 3 |
| Surface Area |
461.09 Å 2 |
| HOMO Energy |
-8.99 ± 0.55 eV |
| LUMO Energy |
1.85 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- ispinesib
- n-(3-aminopropyl)-n-[(1r)-1-[3-(benzyl)-7-chloro-4-keto-quinazolin-2-yl]-2-methyl-propyl]-4-methyl-benzamide
- n-(3-aminopropyl)-n-[(1r)-1-[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methylbenzamide
- n-(3-aminopropyl)-n-[(1r)-1-[7-chloro-4-oxo-3-(phenylmethyl)quinazolin-2-yl]-2-methyl-propyl]-4-methyl-benzamide
- n-(3-aminopropyl)-n-[(1r)-1-[7-chloro-4-oxo-3-(phenylmethyl)quinazolin-2-yl]-2-methylpropyl]-4-methylbenzamide
|
| InChIKey |
QJZRFPJCWMNVAV-HHHXNRCGSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
N
O
Cl
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