General Information of the Compound
Compound ID
CP0497909
Compound Name
2-(4-methylpiperazin-1-yl)quinolin-8-amine
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Structure
Formula
C14H18N4
Molecular Weight
242.326
Canonical SMILES
CN1CCN(CC1)c1ccc2cccc(N)c2n1
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InChI
InChI=1S/C14H18N4/c1-17-7-9-18(10-8-17)13-6-5-11-3-2-4-12(15)14(11)16-13/h2-6H,7-10,15H2,1H3
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InChIKey
GBRCKQVRLPIGIR-UHFFFAOYSA-N
Physicochemical Property
logP
1.5688
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
45.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 71456956
SID: 163456395
ChEMBL ID
CHEMBL2169974
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 331.13 nM
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