2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline

C19H20N4O — CID 24854637

IUPAC2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2Oc2ccccc2)CC1
InChIInChI=1S/C19H20N4O/c1-22-11-13-23(14-12-22)18-19(24-15-7-3-2-4-8-15)21-17-10-6-5-9-16(17)20-18/h2-10H,11-14H2,1H3
InChIKeyRTZYJYVSUCZWSE-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.17
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline

2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline (PubChem CID 24854637) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline
PubChem CID24854637
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2Oc2ccccc2)CC1
InChIInChI=1S/C19H20N4O/c1-22-11-13-23(14-12-22)18-19(24-15-7-3-2-4-8-15)21-17-10-6-5-9-16(17)20-18/h2-10H,11-14H2,1H3
InChIKeyRTZYJYVSUCZWSE-UHFFFAOYSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline 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-methylpiperazin-1-yl)-3-phenoxyquinoxaline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline (CID 24854637) is 2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline is CN1CCN(c2nc3ccccc3nc2Oc2ccccc2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline?
The InChIKey is RTZYJYVSUCZWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-11-13-23(14-12-22)18-19(24-15-7-3-2-4-8-15)21-17-10-6-5-9-16(17)20-18/h2-10H,11-14H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline?
2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline has a molecular weight of 320.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-3-phenoxyquinoxaline is sourced from PubChem (CID 24854637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).