Pipequaline

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Pipequaline
DrugBank Accession Number
DB13991
Background

Pipequaline is an anticonflict & anticonvulsant quinoline derivative. It is an anxiolytic drug that was never marketed. It presents a unique chemical structure that does not follow the structural properties of other drugs of its class. Pipequaline has a similar pharmacological profile to the reported for the benzodiazepines. However, it presents a significant set of anxiolytic properties with a very little sedative, amnestic or anticonvulsant effect. Due to these differences, this drug is classified as a nonbenzodiazepine anxiolytic.

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 316.448
Monoisotopic: 316.193948781
Chemical Formula
C22H24N2
Synonyms
  • 2-Phenyl-4-(2-(4-piperidyl)ethyl)quinoline
  • Pipequalina
  • Pipequaline
  • Pipequalinum
External IDs
  • PK-8165

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
J3S205V4I2
CAS number
77472-98-1
InChI Key
AMEWZCMTSIONOX-UHFFFAOYSA-N
InChI
InChI=1S/C22H24N2/c1-2-6-18(7-3-1)22-16-19(11-10-17-12-14-23-15-13-17)20-8-4-5-9-21(20)24-22/h1-9,16-17,23H,10-15H2
IUPAC Name
2-phenyl-4-[2-(piperidin-4-yl)ethyl]quinoline
SMILES
C(CC1=C2C=CC=CC2=NC(=C1)C1=CC=CC=C1)C1CCNCC1

References

General References
Not Available
ChemSpider
64354
ChEMBL
CHEMBL2105206
ZINC
ZINC000001482144
Wikipedia
Pipequaline

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000135 mg/mLALOGPS
logP4.85ALOGPS
logP5.16Chemaxon
logS-6.4ALOGPS
pKa (Strongest Basic)10.36Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area24.92 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity99.37 m3·mol-1Chemaxon
Polarizability38.2 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-2e33b6622672ff25290b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-895dd4efd434af6d85bf
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-088b1e872e0d6a0a9fa6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-3cbd29f093ea9b70db18
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00fr-0090000000-2f5da69c8d38860ed9d3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0292000000-7079995116db41e1a32f
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-190.7700846
predicted
DarkChem Lite v0.1.0
[M+H]+191.4098846
predicted
DarkChem Lite v0.1.0
[M+Na]+191.4687846
predicted
DarkChem Lite v0.1.0

Drug created at February 22, 2018 16:03 / Updated at February 21, 2021 18:54