HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 58158181Generated: October 30, 2026
8-methyl-3-(1-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-ylamino)ethyl)-2-o-tolylisoquinolin-1(2H)-one
https://huagongshe.com/en/chemical/58158181
Identifiers & Physical Properties
| Molecular formula | C29H30N6O2 |
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| Average molar mass | 494.6 g/mol |
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| Monoisotopic mass | 494.24302422 g/mol |
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| SMILES | Cc1ccccc1-n1c(C(C)Nc2ncnc3c2ncn3C2CCCCO2)cc2cccc(C)c2c1=O |
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| InChIKey | KVGQMVNFTWSKFT-UHFFFAOYSA-N |
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| PubChem CID | 58158181 |
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Chemical & Physical Properties
| XLogP | 4.9 |
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| Topological polar surface area | 85.2 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 37 |
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| Formal charge | 0 |
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| Complexity | 852 |
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