8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione

C11H8N4O2 — CID 72723870

IUPAC8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione
SMILESCc1cnc2c(ccc3[nH]c(=O)c(=O)[nH]c32)n1
InChIInChI=1S/C11H8N4O2/c1-5-4-12-8-6(13-5)2-3-7-9(8)15-11(17)10(16)14-7/h2-4H,1H3,(H,14,16)(H,15,17)
InChIKeyOHCZHHAAEBZEBF-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.47
Rot. Bonds

About 8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione

8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione (PubChem CID 72723870) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione
PubChem CID72723870
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione
SMILESCc1cnc2c(ccc3[nH]c(=O)c(=O)[nH]c32)n1
InChIInChI=1S/C11H8N4O2/c1-5-4-12-8-6(13-5)2-3-7-9(8)15-11(17)10(16)14-7/h2-4H,1H3,(H,14,16)(H,15,17)
InChIKeyOHCZHHAAEBZEBF-UHFFFAOYSA-N
XLogP0.47
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione?
The IUPAC name of 8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione (CID 72723870) is 8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione.
What is the SMILES notation for 8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione?
The canonical SMILES for 8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione is Cc1cnc2c(ccc3[nH]c(=O)c(=O)[nH]c32)n1.
What is the InChIKey of 8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione?
The InChIKey is OHCZHHAAEBZEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c1-5-4-12-8-6(13-5)2-3-7-9(8)15-11(17)10(16)14-7/h2-4H,1H3,(H,14,16)(H,15,17).
What are the key properties of 8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione?
8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione has a molecular weight of 228.21 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione is sourced from PubChem (CID 72723870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).