HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67006648Generated: November 2, 2026
7-{2-[2-Oxo-4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]-ethyl}-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
https://huagongshe.com/en/chemical/67006648
Identifiers & Physical Properties
| Molecular formula | C27H31N3O4 |
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| Average molar mass | 461.6 g/mol |
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| SMILES | CC(C)(C)OC(=O)N1CCc2ccc(CCn3ccc(OCc4ccccn4)cc3=O)cc2C1 |
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| InChIKey | FJENMOXEQOCPJQ-UHFFFAOYSA-N |
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| PubChem CID | 67006648 |
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Chemical & Physical Properties
| XLogP | 3.2 |
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| Topological polar surface area | 72 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 34 |
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| Formal charge | 0 |
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| Complexity | 787 |
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![7-{2-[2-Oxo-4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]-ethyl}-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester molecular structure](/img/chemical/67006648.png)