Metabolite N-bidesethylchloroquine

Name
N-bidesethylchloroquine
Description
Not Available
Structure
Thumb
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[[email protected]](CCCN)NC1=C2C=CC(Cl)=CC2=NC=C1
Reactions
ZINC
ZINC000006036375
Predicted Properties
PropertyValueSource
Water Solubility0.0139 mg/mLALOGPS
logP3.52ALOGPS
logP2.4ChemAxon
logS-4.3ALOGPS
pKa (Strongest Basic)10.2ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area50.94 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity76.86 m3·mol-1ChemAxon
Polarizability28.43 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon