6-azido-7-nitroquinoxaline-2,3-dione

C8H2N6O4 — CID 72805674

IUPAC6-azido-7-nitroquinoxaline-2,3-dione
SMILES[N-]=[N+]=Nc1cc2c(cc1[N+](=O)[O-])=NC(=O)C(=O)N=2
InChIInChI=1S/C8H2N6O4/c9-13-12-5-1-3-4(2-6(5)14(17)18)11-8(16)7(15)10-3/h1-2H
InChIKeyDSKQENPSCVHBHL-UHFFFAOYSA-N
MW246.14 g/mol
LogP-0.16
Rot. Bonds2

About 6-azido-7-nitroquinoxaline-2,3-dione

6-azido-7-nitroquinoxaline-2,3-dione (PubChem CID 72805674) has the molecular formula C8H2N6O4 and a molecular weight of 246.14 g/mol. Its IUPAC name is 6-azido-7-nitroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-azido-7-nitroquinoxaline-2,3-dione
PubChem CID72805674
Molecular FormulaC8H2N6O4
Molecular Weight246.14 g/mol
Exact Mass246.01
IUPAC Name6-azido-7-nitroquinoxaline-2,3-dione
SMILES[N-]=[N+]=Nc1cc2c(cc1[N+](=O)[O-])=NC(=O)C(=O)N=2
InChIInChI=1S/C8H2N6O4/c9-13-12-5-1-3-4(2-6(5)14(17)18)11-8(16)7(15)10-3/h1-2H
InChIKeyDSKQENPSCVHBHL-UHFFFAOYSA-N
XLogP-0.16
TPSA150.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 6-azido-7-nitroquinoxaline-2,3-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 6-azido-7-nitroquinoxaline-2,3-dione?
The IUPAC name of 6-azido-7-nitroquinoxaline-2,3-dione (CID 72805674) is 6-azido-7-nitroquinoxaline-2,3-dione.
What is the SMILES notation for 6-azido-7-nitroquinoxaline-2,3-dione?
The canonical SMILES for 6-azido-7-nitroquinoxaline-2,3-dione is [N-]=[N+]=Nc1cc2c(cc1[N+](=O)[O-])=NC(=O)C(=O)N=2.
What is the InChIKey of 6-azido-7-nitroquinoxaline-2,3-dione?
The InChIKey is DSKQENPSCVHBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2N6O4/c9-13-12-5-1-3-4(2-6(5)14(17)18)11-8(16)7(15)10-3/h1-2H.
What are the key properties of 6-azido-7-nitroquinoxaline-2,3-dione?
6-azido-7-nitroquinoxaline-2,3-dione has a molecular weight of 246.14 g/mol, XLogP of -0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-7-nitroquinoxaline-2,3-dione is sourced from PubChem (CID 72805674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).