quipazine   Click here for help

GtoPdb Ligand ID: 173

Compound class: Synthetic organic
Comment: Quipazine belongs to the piperazine family of compounds and may act to improve function of the spinal nerve circuitry [3-4].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 28.16
Molecular weight 213.13
XLogP 2.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES N1CCN(CC1)c1ccc2c(n1)cccc2
Isomeric SMILES N1CCN(CC1)c1ccc2c(n1)cccc2
InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
InChI Key XRXDAJYKGWNHTQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-piperazin-1-ylquinoline
International Nonproprietary Names Click here for help
INN number INN
2264 quipazine
Database Links Click here for help
BindingDB Ligand 50014407
CAS Registry No. 4774-24-7 (source: Scifinder)
ChEMBL Ligand CHEMBL18772
GtoPdb PubChem SID 135650875
PubChem CID 5011
Search Google for chemical match using the InChIKey XRXDAJYKGWNHTQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XRXDAJYKGWNHTQ
Search PubMed clinical trials quipazine
Search PubMed titles quipazine
Search PubMed titles/abstracts quipazine
Search UniChem for chemical match using the InChIKey XRXDAJYKGWNHTQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XRXDAJYKGWNHTQ
Wikipedia Quipazine