General Information of the Compound
Compound ID
CP0006029
Compound Name
2-(piperazin-1-yl)quinoline
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Synonyms
1-(2-Quinolinyl)piperazine
1-(2-Quinolyl)piperazine
2-(1-Piperazinyl)chinolin
2-(1-Piperazinyl)quinoline
2-(piperazin-1-yl)quinoline
2-Piperazin-1-yl-quinoline
2-Piperazin-1-ylquinoline
2-quinolylpiperazine
4774-24-7
4WCY05C0SJ
AC1L1JEX
AC1Q4WAV
BRN 0196945
CHEMBL18772
F3306-0004
MA-1291
QUIPAZINE
Quinoline, 2-(1-piperazinyl)-
Quipazina
Quipazina [INN-Spanish]
Quipazine [INN]
Quipazinum
Quipazinum [INN-Latin]
Spectrum4_001259
Spectrum_001733
TPC-A004
Tocris-0629
UNII-4WCY05C0SJ
piperazin-1-yl-quinoline
quipazine
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Structure
Formula
C13H15N3
Molecular Weight
213.284
Canonical SMILES
C1CN(CCN1)c1ccc2ccccc2n1
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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
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InChIKey
XRXDAJYKGWNHTQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.6444
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
28.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 5011
SID: 15195795
ChEMBL ID
CHEMBL18772
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01179, Beta-1 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 6309.57 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( QUIPAZINE )
Drug Name QUIPAZINE
Target(s)
Serotonin transporter (SERT)
Inhibitor
5-HT 6 receptor (HTR6)
Inhibitor
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor
5-HT 3A receptor (HTR3A)
Inhibitor
5-HT 1D receptor (HTR1D)
Inhibitor