2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline

C20H22N4O2 — CID 24853598

IUPAC2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCOc1ccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)cc1
InChIInChI=1S/C20H22N4O2/c1-23-11-13-24(14-12-23)19-20(22-18-6-4-3-5-17(18)21-19)26-16-9-7-15(25-2)8-10-16/h3-10H,11-14H2,1-2H3
InChIKeyKTVRQRNAKFZKNW-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.18
Rot. Bonds4

About 2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline

2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 24853598) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID24853598
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCOc1ccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)cc1
InChIInChI=1S/C20H22N4O2/c1-23-11-13-24(14-12-23)19-20(22-18-6-4-3-5-17(18)21-19)26-16-9-7-15(25-2)8-10-16/h3-10H,11-14H2,1-2H3
InChIKeyKTVRQRNAKFZKNW-UHFFFAOYSA-N
XLogP3.18
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline (CID 24853598) is 2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline is COc1ccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is KTVRQRNAKFZKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-11-13-24(14-12-23)19-20(22-18-6-4-3-5-17(18)21-19)26-16-9-7-15(25-2)8-10-16/h3-10H,11-14H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 350.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 24853598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).