5-methyl-7-nitroquinoxaline-2,3-dione

C9H5N3O4 — CID 18706419

IUPAC5-methyl-7-nitroquinoxaline-2,3-dione
SMILESCc1cc([N+](=O)[O-])cc2c1=NC(=O)C(=O)N=2
InChIInChI=1S/C9H5N3O4/c1-4-2-5(12(15)16)3-6-7(4)11-9(14)8(13)10-6/h2-3H,1H3
InChIKeyAOGHDWWNKDBGSP-UHFFFAOYSA-N
MW219.16 g/mol
LogP-0.79
Rot. Bonds1

About 5-methyl-7-nitroquinoxaline-2,3-dione

5-methyl-7-nitroquinoxaline-2,3-dione (PubChem CID 18706419) has the molecular formula C9H5N3O4 and a molecular weight of 219.16 g/mol. Its IUPAC name is 5-methyl-7-nitroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5-methyl-7-nitroquinoxaline-2,3-dione
PubChem CID18706419
Molecular FormulaC9H5N3O4
Molecular Weight219.16 g/mol
Exact Mass219.03
IUPAC Name5-methyl-7-nitroquinoxaline-2,3-dione
SMILESCc1cc([N+](=O)[O-])cc2c1=NC(=O)C(=O)N=2
InChIInChI=1S/C9H5N3O4/c1-4-2-5(12(15)16)3-6-7(4)11-9(14)8(13)10-6/h2-3H,1H3
InChIKeyAOGHDWWNKDBGSP-UHFFFAOYSA-N
XLogP-0.79
TPSA102.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 5-0.79
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 5-methyl-7-nitroquinoxaline-2,3-dione?
The IUPAC name of 5-methyl-7-nitroquinoxaline-2,3-dione (CID 18706419) is 5-methyl-7-nitroquinoxaline-2,3-dione.
What is the SMILES notation for 5-methyl-7-nitroquinoxaline-2,3-dione?
The canonical SMILES for 5-methyl-7-nitroquinoxaline-2,3-dione is Cc1cc([N+](=O)[O-])cc2c1=NC(=O)C(=O)N=2.
What is the InChIKey of 5-methyl-7-nitroquinoxaline-2,3-dione?
The InChIKey is AOGHDWWNKDBGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O4/c1-4-2-5(12(15)16)3-6-7(4)11-9(14)8(13)10-6/h2-3H,1H3.
What are the key properties of 5-methyl-7-nitroquinoxaline-2,3-dione?
5-methyl-7-nitroquinoxaline-2,3-dione has a molecular weight of 219.16 g/mol, XLogP of -0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-nitroquinoxaline-2,3-dione is sourced from PubChem (CID 18706419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).