4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-chloroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-chloroquinoline-3-carbonitrile
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-chloroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F360-0434 |
| Compound Name: | 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-chloroquinoline-3-carbonitrile |
| Molecular Weight: | 337.76 |
| Molecular Formula: | C18 H12 Cl N3 O2 |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1c(C#N)cnc2ccc(cc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5565 |
| logD: | 3.5563 |
| logSw: | -3.9592 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.102 |
| InChI Key: | SXOPGVMKRUTYRK-UHFFFAOYSA-N |