3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline

C20H18N6 — CID 70165871

IUPAC3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline
SMILESc1cnc(N2CCN(c3cnc4cc5ccccc5cc4n3)CC2)nc1
InChIInChI=1S/C20H18N6/c1-2-5-16-13-18-17(12-15(16)4-1)23-14-19(24-18)25-8-10-26(11-9-25)20-21-6-3-7-22-20/h1-7,12-14H,8-11H2
InChIKeyLIUJODSXYQNDAG-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.90
Rot. Bonds2

About 3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline

3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline (PubChem CID 70165871) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline.

Molecular Properties

Compound Name3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline
PubChem CID70165871
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline
SMILESc1cnc(N2CCN(c3cnc4cc5ccccc5cc4n3)CC2)nc1
InChIInChI=1S/C20H18N6/c1-2-5-16-13-18-17(12-15(16)4-1)23-14-19(24-18)25-8-10-26(11-9-25)20-21-6-3-7-22-20/h1-7,12-14H,8-11H2
InChIKeyLIUJODSXYQNDAG-UHFFFAOYSA-N
XLogP2.90
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline?
The IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline (CID 70165871) is 3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline.
What is the SMILES notation for 3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline?
The canonical SMILES for 3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline is c1cnc(N2CCN(c3cnc4cc5ccccc5cc4n3)CC2)nc1.
What is the InChIKey of 3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline?
The InChIKey is LIUJODSXYQNDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-2-5-16-13-18-17(12-15(16)4-1)23-14-19(24-18)25-8-10-26(11-9-25)20-21-6-3-7-22-20/h1-7,12-14H,8-11H2.
What are the key properties of 3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline?
3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline has a molecular weight of 342.41 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline is sourced from PubChem (CID 70165871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).