Molindone hydrochlorideProduct ingredient for Molindone

Name
Molindone hydrochloride
Drug Entry
Molindone

An indole derivative effective in schizophrenia and other psychoses and possibly useful in the treatment of the aggressive type of undersocialized conduct disorder. Molindone has much lower affinity for D2 receptors than most antipsychotic agents and has a relatively low affinity for D1 receptors. It has only low to moderate affinity for cholinergic and alpha-adrenergic receptors. Some electrophysiologic data from animals indicate that molindone has certain characteristics that resemble those of clozapine. (From AMA Drug Evaluations Annual, 1994, p283)

Accession Number
DBSALT001243
Structure
Synonyms
Molindone HCl
UNII
1DWS68PNE6
CAS Number
15622-65-8
Weight
Average: 312.84
Monoisotopic: 312.1604558
Chemical Formula
C16H25ClN2O2
InChI Key
GQWNECFJGBQMBO-UHFFFAOYSA-N
InChI
InChI=1S/C16H24N2O2.ClH/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18;/h12,17H,3-10H2,1-2H3;1H
IUPAC Name
3-ethyl-2-methyl-5-[(morpholin-4-yl)methyl]-4,5,6,7-tetrahydro-1H-indol-4-one hydrochloride
SMILES
Cl.CCC1=C(C)NC2=C1C(=O)C(CN1CCOCC1)CC2
ChemSpider
25517
ChEBI
6966
ChEMBL
CHEMBL1200419
Wikipedia
Molindone
Predicted Properties
PropertyValueSource
Water Solubility0.474 mg/mLALOGPS
logP2.09ALOGPS
logP2.04Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)15.34Chemaxon
pKa (Strongest Basic)6.65Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area45.33 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity81.06 m3·mol-1Chemaxon
Polarizability32 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon