2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine

C18H27N7 — CID 12676683

IUPAC2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine
SMILESCN1CCN(c2nc3cccc(N)c3nc2N2CCN(C)CC2)CC1
InChIInChI=1S/C18H27N7/c1-22-6-10-24(11-7-22)17-18(25-12-8-23(2)9-13-25)21-16-14(19)4-3-5-15(16)20-17/h3-5H,6-13,19H2,1-2H3
InChIKeyBAXLAJOXQYMMQH-UHFFFAOYSA-N
MW341.46 g/mol
LogP0.72
Rot. Bonds2

About 2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine

2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine (PubChem CID 12676683) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine.

Molecular Properties

Compound Name2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine
PubChem CID12676683
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine
SMILESCN1CCN(c2nc3cccc(N)c3nc2N2CCN(C)CC2)CC1
InChIInChI=1S/C18H27N7/c1-22-6-10-24(11-7-22)17-18(25-12-8-23(2)9-13-25)21-16-14(19)4-3-5-15(16)20-17/h3-5H,6-13,19H2,1-2H3
InChIKeyBAXLAJOXQYMMQH-UHFFFAOYSA-N
XLogP0.72
TPSA64.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine 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 2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine?
The IUPAC name of 2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine (CID 12676683) is 2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine.
What is the SMILES notation for 2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine?
The canonical SMILES for 2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine is CN1CCN(c2nc3cccc(N)c3nc2N2CCN(C)CC2)CC1.
What is the InChIKey of 2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine?
The InChIKey is BAXLAJOXQYMMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-22-6-10-24(11-7-22)17-18(25-12-8-23(2)9-13-25)21-16-14(19)4-3-5-15(16)20-17/h3-5H,6-13,19H2,1-2H3.
What are the key properties of 2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine?
2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine has a molecular weight of 341.46 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine is sourced from PubChem (CID 12676683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).