HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 10003467Generated: October 27, 2026
3-[[7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-6-yl]sulfanyl]propanoic acid
https://huagongshe.com/en/chemical/10003467
Identifiers & Physical Properties
| Molecular formula | C22H19FN2O5S |
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| Average molar mass | 442.5 g/mol |
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| Monoisotopic mass | 442.09987105 g/mol |
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| SMILES | COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2SCCC(=O)O |
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| InChIKey | VUSBYVLPNZQPMU-UHFFFAOYSA-N |
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| PubChem CID | 10003467 |
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| ChEMBL | CHEMBL213467 |
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Chemical & Physical Properties
| XLogP | 3.3 |
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| Topological polar surface area | 125 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 662 |
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![3-[[7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-6-yl]sulfanyl]propanoic acid molecular structure](/img/chemical/10003467.png)