OPC-14523 hydrochlorideProduct ingredient for OPC-14523

Name
OPC-14523 hydrochloride
Drug Entry
OPC-14523

OPC-14523 is an antidepressant drug developed by Otsuka America Pharmaceutical.

Accession Number
DBSALT002834
Structure
Synonyms
OPC-14523 HCl
UNII
OV3VP43XU4
CAS Number
145969-31-9
Weight
Average: 450.4
Monoisotopic: 449.1636826
Chemical Formula
C23H29Cl2N3O2
InChI Key
SFOVXVXPFWJNBL-UHFFFAOYSA-N
InChI
InChI=1S/C23H28ClN3O2.ClH/c1-29-22-8-3-7-21-20(22)9-10-23(28)27(21)12-4-11-25-13-15-26(16-14-25)19-6-2-5-18(24)17-19;/h2-3,5-8,17H,4,9-16H2,1H3;1H
IUPAC Name
1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-methoxy-1,2,3,4-tetrahydroquinolin-2-one hydrochloride
SMILES
Cl.COC1=CC=CC2=C1CCC(=O)N2CCCN1CCN(CC1)C1=CC=CC(Cl)=C1
ChemSpider
14050632
ChEMBL
CHEMBL2115473
Predicted Properties
PropertyValueSource
Water Solubility0.0296 mg/mLALOGPS
logP3.99ALOGPS
logP3.64ChemAxon
logS-4.2ALOGPS
pKa (Strongest Basic)7.67ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area36.02 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity118 m3·mol-1ChemAxon
Polarizability46.15 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon