4-[(2H-1,3-benzodioxol-5-yl)amino]-6-chloroquinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)amino]-6-chloroquinoline-3-carbonitrile--hydrogen chloride (1/1)
4-[(2H-1,3-benzodioxol-5-yl)amino]-6-chloroquinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0402 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)amino]-6-chloroquinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 360.2 |
| Molecular Formula: | C17 H10 Cl N3 O2 |
| Salt: | HCl |
| Smiles: | C1Oc2ccc(cc2O1)Nc1c(C#N)cnc2ccc(cc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9767 |
| logD: | 3.9767 |
| logSw: | -4.4816 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.779 |
| InChI Key: | MNUZDDMFDFKKCI-UHFFFAOYSA-N |