General Information of the Compound
Compound ID
CP0436429
Compound Name
2-ethoxy-3-(4-methylpiperazin-1-yl)quinoxaline
    Show/Hide
Structure
Formula
C15H20N4O
Molecular Weight
272.352
Canonical SMILES
CCOc1nc2ccccc2nc1N1CCN(C)CC1
    Show/Hide
InChI
InChI=1S/C15H20N4O/c1-3-20-15-14(19-10-8-18(2)9-11-19)16-12-6-4-5-7-13(12)17-15/h4-7H,3,8-11H2,1-2H3
    Show/Hide
InChIKey
NIMWAKDCJSIBQS-UHFFFAOYSA-N
Physicochemical Property
logP
1.7803
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
41.49
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
20

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 24853663
SID: 50082891
ChEMBL ID
CHEMBL259839
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 = 229.09 nM
   TI
   LI
   LO
   TS