General Information of the Compound
Compound ID
CP0037683
Compound Name
2-methoxy-3-(4-methylpiperazin-1-yl)quinoxaline
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Structure
Formula
C14H18N4O
Molecular Weight
258.325
Canonical SMILES
COc1nc2ccccc2nc1N1CCN(C)CC1
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InChI
InChI=1S/C14H18N4O/c1-17-7-9-18(10-8-17)13-14(19-2)16-12-6-4-3-5-11(12)15-13/h3-6H,7-10H2,1-2H3
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InChIKey
QETCEBAPJZFLHN-UHFFFAOYSA-N
Physicochemical Property
logP
1.3902
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
41.49
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 8070960
ChEMBL ID
CHEMBL405044
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 = 338.84 nM
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