HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19081649Generated: November 3, 2026
1-Cyclopropyl-7-[2-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]ethynyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
https://huagongshe.com/en/chemical/19081649
Identifiers & Physical Properties
| Molecular formula | C28H23F2N5O5 |
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| Average molar mass | 547.5 g/mol |
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| SMILES | COc1cc(Cc2cnc(N)nc2N)cc(C#Cc2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)c1OC |
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| InChIKey | IPJASRFVMOUYRB-UHFFFAOYSA-N |
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| PubChem CID | 19081649 |
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Chemical & Physical Properties
| XLogP | 4.2 |
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| Topological polar surface area | 154 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 12 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 40 |
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| Formal charge | 0 |
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| Complexity | 1,080 |
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![1-Cyclopropyl-7-[2-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]ethynyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid molecular structure](/img/chemical/19081649.png)