4-[(2H-1,3-benzodioxol-5-yl)amino]-8-fluoroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)amino]-8-fluoroquinoline-3-carbonitrile
4-[(2H-1,3-benzodioxol-5-yl)amino]-8-fluoroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F360-1128 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)amino]-8-fluoroquinoline-3-carbonitrile |
| Molecular Weight: | 343.74 |
| Molecular Formula: | C17 H10 F N3 O2 |
| Salt: | HCl |
| Smiles: | C1Oc2ccc(cc2O1)Nc1c(C#N)cnc2c(cccc12)F |
| Stereo: | ACHIRAL |
| logP: | 3.2237 |
| logD: | 3.2237 |
| logSw: | -3.3617 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.55 |
| InChI Key: | SGFXYABRKHZLOK-UHFFFAOYSA-N |