3-Hydroxy-2,3-Dihydro-1H-Pyrrolo[2,1-B]Quinazolin-9-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1864065 | |
| PubChem: | 10242 | |
| IUPAC: | 3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one | |
| Standard InChI: | InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2 | |
| Standard InChI Key: | SDIVYZXRQHWCKF-UHFFFAOYSA-N | |
| SMILES: | OC1CCn2c1nc1ccccc1c2=O | |
Molecular propeties
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| AlogP: | 0.83 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 202.07 | |
| Topological polar surface area: | 52.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.273 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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