HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 68505995Generated: November 4, 2026
tert-Butyl 4-{4-[4-(2-chlorophenoxy)butoxy]phenyl}-3-[1-(3-methoxypropyl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-ylmethoxy]piperidine-1-carboxylate
https://huagongshe.com/en/chemical/68505995
Identifiers & Physical Properties
| Molecular formula | C40H51ClN2O7 |
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| Average molar mass | 707.3 g/mol |
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| Monoisotopic mass | 706.3384797 g/mol |
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| SMILES | COCCCN1C(=O)CCc2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(OCCCCOc4ccccc4Cl)cc3)cc21 |
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| InChIKey | HEALFKDXHANDGD-UHFFFAOYSA-N |
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| PubChem CID | 68505995 |
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Chemical & Physical Properties
| XLogP | 6.9 |
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| Topological polar surface area | 86.8 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 17 |
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| Heavy atoms | 50 |
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| Formal charge | 0 |
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| Complexity | 1,030 |
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![tert-Butyl 4-{4-[4-(2-chlorophenoxy)butoxy]phenyl}-3-[1-(3-methoxypropyl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-ylmethoxy]piperidine-1-carboxylate molecular structure](/img/chemical/68505995.png)