2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione

C12H10N4O4 — CID 72723728

IUPAC2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione
SMILESCOc1nc2ccc3[nH]c(=O)c(=O)[nH]c3c2nc1OC
InChIInChI=1S/C12H10N4O4/c1-19-11-12(20-2)16-8-6(14-11)4-3-5-7(8)15-10(18)9(17)13-5/h3-4H,1-2H3,(H,13,17)(H,15,18)
InChIKeyBHNROUAZDGMUKK-UHFFFAOYSA-N
MW274.24 g/mol
LogP0.18
Rot. Bonds2

About 2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione

2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione (PubChem CID 72723728) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione.

Molecular Properties

Compound Name2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione
PubChem CID72723728
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Name2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione
SMILESCOc1nc2ccc3[nH]c(=O)c(=O)[nH]c3c2nc1OC
InChIInChI=1S/C12H10N4O4/c1-19-11-12(20-2)16-8-6(14-11)4-3-5-7(8)15-10(18)9(17)13-5/h3-4H,1-2H3,(H,13,17)(H,15,18)
InChIKeyBHNROUAZDGMUKK-UHFFFAOYSA-N
XLogP0.18
TPSA109.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione 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-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione?
The IUPAC name of 2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione (CID 72723728) is 2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione.
What is the SMILES notation for 2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione?
The canonical SMILES for 2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione is COc1nc2ccc3[nH]c(=O)c(=O)[nH]c3c2nc1OC.
What is the InChIKey of 2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione?
The InChIKey is BHNROUAZDGMUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c1-19-11-12(20-2)16-8-6(14-11)4-3-5-7(8)15-10(18)9(17)13-5/h3-4H,1-2H3,(H,13,17)(H,15,18).
What are the key properties of 2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione?
2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione has a molecular weight of 274.24 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione is sourced from PubChem (CID 72723728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).