6-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
6-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | F360-0401 |
Compound Name: | 6-chloro-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]quinoline-3-carbonitrile--hydrogen chloride (1/1) |
Molecular Weight: | 374.22 |
Molecular Formula: | C18 H12 Cl N3 O2 |
Salt: | HCl |
Smiles: | C1COc2cc(ccc2O1)Nc1c(C#N)cnc2ccc(cc12)[Cl] |
Stereo: | ACHIRAL |
logP: | 3.1162 |
logD: | 3.1161 |
logSw: | -3.6669 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.487 |
InChI Key: | ODQXRHLSHZUNBJ-UHFFFAOYSA-N |