HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 68917517Generated: November 2, 2026
(2S,4R)-3-(4-{4-[acetyl-(4-chloro-phenyl)-amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl}-phenyl)-acrylic acid methyl ester
https://huagongshe.com/en/chemical/68917517
Identifiers & Physical Properties
| Molecular formula | C29H27ClN2O4 |
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| Average molar mass | 503 g/mol |
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| Monoisotopic mass | 502.165935 g/mol |
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| SMILES | COC(=O)C=Cc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(Cl)cc3)C[C@@H]2C)cc1 |
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| InChIKey | MMTZCBAXGGXANU-UZTOHYMASA-N |
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| PubChem CID | 68917517 |
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Chemical & Physical Properties
| XLogP | 5.3 |
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| Topological polar surface area | 66.9 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 36 |
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| Formal charge | 0 |
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| Complexity | 816 |
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![(2S,4R)-3-(4-{4-[acetyl-(4-chloro-phenyl)-amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl}-phenyl)-acrylic acid methyl ester molecular structure](/img/chemical/68917517.png)