HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 68831784Generated: November 3, 2026
Methyl 3-{[(tert-butoxycarbonyl)amino]methyl}-2-isobutyl-4-(4-methylphenyl)quinoline-6-carboxylate
https://huagongshe.com/en/chemical/68831784
Identifiers & Physical Properties
| Molecular formula | C28H34N2O4 |
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| Average molar mass | 462.6 g/mol |
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| SMILES | COC(=O)c1ccc2nc(CC(C)C)c(CNC(=O)OC(C)(C)C)c(-c3ccc(C)cc3)c2c1 |
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| InChIKey | DJDGAAIPHIJBKH-UHFFFAOYSA-N |
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| PubChem CID | 68831784 |
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Chemical & Physical Properties
| XLogP | 6.2 |
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| Topological polar surface area | 77.5 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 34 |
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| Formal charge | 0 |
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| Complexity | 680 |
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![Methyl 3-{[(tert-butoxycarbonyl)amino]methyl}-2-isobutyl-4-(4-methylphenyl)quinoline-6-carboxylate molecular structure](/img/chemical/68831784.png)