Metabolite N-bidesethylchloroquine
- Name
- N-bidesethylchloroquine
- Description
- Not Available
- Structure
Structure for N-bidesethylchloroquine
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 263.77
Monoisotopic: 263.1189253 - Chemical Formula
- C14H18ClN3
- InChI Key
- GYEDIFVVTRKXHP-SNVBAGLBSA-N
- InChI
- InChI=1S/C14H18ClN3/c1-10(3-2-7-16)18-13-6-8-17-14-9-11(15)4-5-12(13)14/h4-6,8-10H,2-3,7,16H2,1H3,(H,17,18)/t10-/m1/s1
- IUPAC Name
- (4R)-N4-(7-chloroquinolin-4-yl)pentane-1,4-diamine
- SMILES
- C[C@H](CCCN)NC1=C2C=CC(Cl)=CC2=NC=C1
- Reactions
- External Links
- ZINC
- ZINC000006036375
- Predicted Properties
Property Value Source Water Solubility 0.0139 mg/mL ALOGPS logP 3.52 ALOGPS logP 2.4 ChemAxon logS -4.3 ALOGPS pKa (Strongest Basic) 10.2 ChemAxon Physiological Charge 2 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 50.94 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 76.86 m3·mol-1 ChemAxon Polarizability 28.43 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon