General Information of the Compound
Compound ID
CP0397545
Compound Name
2-(4-Methyl-piperazin-1-yl)-quinoline
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Synonyms
0YV1ZIR6S0
1-(2-Quinolyl)-4-methylpiperazine
2-(4-Methyl-piperazin-1-yl)-quinoline
2-(4-Methylpiperazinyl)-quinoline
2-(4-methylpiperazin-1-yl)quinoline
AC1L1JF3
AKOS005453926
BDBM50053631
BPBio1_001081
Biomol-NT_000084
CCG-205080
CHEBI:64164
CHEMBL288591
CTK6I3065
DTXSID8043731
HOMWNUXPSJQSSU-UHFFFAOYSA-N
Lopac-Q-107
Lopac0_001000
MCULE-4786527390
MolPort-006-384-975
N-methylquipazine
Oprea1_654246
SCHEMBL606721
STK362919
Tocris-0566
UNII-0YV1ZIR6S0
ZINC403653
quinoline, 2-(4-methyl-1-piperazinyl)-
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Structure
Formula
C14H17N3
Molecular Weight
227.311
Canonical SMILES
CN1CCN(CC1)c1ccc2ccccc2n1
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InChI
InChI=1S/C14H17N3/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14/h2-7H,8-11H2,1H3
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InChIKey
HOMWNUXPSJQSSU-UHFFFAOYSA-N
Physicochemical Property
logP
1.9866
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
19.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 5013
SID: 15220597
ChEMBL ID
CHEMBL288591
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: PT02227, 5-hydroxytryptamine receptor 3A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 0.4571 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 6918.31 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(4-Methyl-piperazin-1-yl)-quinoline )
Drug Name 2-(4-Methyl-piperazin-1-yl)-quinoline
Target(s)
5-HT 3A receptor (HTR3A)
 Target Info 
Inhibitor
Histamine H3 receptor (H3R)
 Target Info 
Inhibitor