6,7-dimethyl-5-nitroquinoxaline-2,3-dione

C10H7N3O4 — CID 21190012

IUPAC6,7-dimethyl-5-nitroquinoxaline-2,3-dione
SMILESCc1cc2c(c([N+](=O)[O-])c1C)=NC(=O)C(=O)N=2
InChIInChI=1S/C10H7N3O4/c1-4-3-6-7(8(5(4)2)13(16)17)12-10(15)9(14)11-6/h3H,1-2H3
InChIKeyNYNUDINUAGSFOO-UHFFFAOYSA-N
MW233.18 g/mol
LogP-0.48
Rot. Bonds1

About 6,7-dimethyl-5-nitroquinoxaline-2,3-dione

6,7-dimethyl-5-nitroquinoxaline-2,3-dione (PubChem CID 21190012) has the molecular formula C10H7N3O4 and a molecular weight of 233.18 g/mol. Its IUPAC name is 6,7-dimethyl-5-nitroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-dimethyl-5-nitroquinoxaline-2,3-dione
PubChem CID21190012
Molecular FormulaC10H7N3O4
Molecular Weight233.18 g/mol
Exact Mass233.04
IUPAC Name6,7-dimethyl-5-nitroquinoxaline-2,3-dione
SMILESCc1cc2c(c([N+](=O)[O-])c1C)=NC(=O)C(=O)N=2
InChIInChI=1S/C10H7N3O4/c1-4-3-6-7(8(5(4)2)13(16)17)12-10(15)9(14)11-6/h3H,1-2H3
InChIKeyNYNUDINUAGSFOO-UHFFFAOYSA-N
XLogP-0.48
TPSA102.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5-nitroquinoxaline-2,3-dione?
The IUPAC name of 6,7-dimethyl-5-nitroquinoxaline-2,3-dione (CID 21190012) is 6,7-dimethyl-5-nitroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-dimethyl-5-nitroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-dimethyl-5-nitroquinoxaline-2,3-dione is Cc1cc2c(c([N+](=O)[O-])c1C)=NC(=O)C(=O)N=2.
What is the InChIKey of 6,7-dimethyl-5-nitroquinoxaline-2,3-dione?
The InChIKey is NYNUDINUAGSFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4/c1-4-3-6-7(8(5(4)2)13(16)17)12-10(15)9(14)11-6/h3H,1-2H3.
What are the key properties of 6,7-dimethyl-5-nitroquinoxaline-2,3-dione?
6,7-dimethyl-5-nitroquinoxaline-2,3-dione has a molecular weight of 233.18 g/mol, XLogP of -0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5-nitroquinoxaline-2,3-dione is sourced from PubChem (CID 21190012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).