HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 58574191Generated: October 31, 2026
8-bromo-3-ethyl-2,3,4,5-tetrahydro-[1,4]diazepino-[7,1-b]quinazolin-11(1H)-one
https://huagongshe.com/en/chemical/58574191
Identifiers & Physical Properties
| Molecular formula | C14H16BrN3O |
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| Average molar mass | 322.2 g/mol |
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| Monoisotopic mass | 321.04767 g/mol |
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| SMILES | CCN1CCc2nc3cc(Br)ccc3c(=O)n2CC1 |
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| InChIKey | JYFABXSJDRIDKR-UHFFFAOYSA-N |
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| PubChem CID | 58574191 |
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Chemical & Physical Properties
| XLogP | 1.7 |
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| Topological polar surface area | 35.9 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 19 |
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| Formal charge | 0 |
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| Complexity | 398 |
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![8-bromo-3-ethyl-2,3,4,5-tetrahydro-[1,4]diazepino-[7,1-b]quinazolin-11(1H)-one molecular structure](/img/chemical/58574191.png)