HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 53675166Generated: October 31, 2026
8-[N-tert-butoxycarbonyl-N-[2,6-dichloro-3-[N-methyl-N-[4-(methylcarbamoyl)cinnamoylglycyl]amino]benzyl]amino]-2-methylquinoline
https://huagongshe.com/en/chemical/53675166
Identifiers & Physical Properties
| Molecular formula | C36H37Cl2N5O5 |
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| Average molar mass | 690.6 g/mol |
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| Monoisotopic mass | 689.2171747 g/mol |
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| SMILES | CNC(=O)c1ccc(C=CC(=O)NCC(=O)N(C)c2ccc(Cl)c(CN(C(=O)OC(C)(C)C)c3cccc4ccc(C)nc34)c2Cl)cc1 |
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| InChIKey | BCQVCHMBTRKKRA-UHFFFAOYSA-N |
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| PubChem CID | 53675166 |
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Chemical & Physical Properties
| XLogP | 6.2 |
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| Topological polar surface area | 121 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 11 |
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| Heavy atoms | 48 |
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| Formal charge | 0 |
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| Complexity | 1,160 |
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![8-[N-tert-butoxycarbonyl-N-[2,6-dichloro-3-[N-methyl-N-[4-(methylcarbamoyl)cinnamoylglycyl]amino]benzyl]amino]-2-methylquinoline molecular structure](/img/chemical/53675166.png)