General Information of the Compound
Compound ID
CP0513849
Compound Name
2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline
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Structure
Formula
C14H18N4
Molecular Weight
242.326
Canonical SMILES
CN1CCN(CC1)c1nc2ccccc2nc1C
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InChI
InChI=1S/C14H18N4/c1-11-14(18-9-7-17(2)8-10-18)16-13-6-4-3-5-12(13)15-11/h3-6H,7-10H2,1-2H3
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InChIKey
UFECJGNJNUSSNX-UHFFFAOYSA-N
Physicochemical Property
logP
1.69002
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
32.26
Hydrogen Bond Donor Count
0
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: 767246
SID: 50083826
ChEMBL ID
CHEMBL259745
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 199.53 nM
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