6-amino-7-methylquinoxaline-2,3-dione

C9H7N3O2 — CID 18941525

IUPAC6-amino-7-methylquinoxaline-2,3-dione
SMILESCc1cc2c(cc1N)=NC(=O)C(=O)N=2
InChIInChI=1S/C9H7N3O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,10H2,1H3
InChIKeyCYFIEOYLOITZKK-UHFFFAOYSA-N
MW189.17 g/mol
LogP-1.12
Rot. Bonds

About 6-amino-7-methylquinoxaline-2,3-dione

6-amino-7-methylquinoxaline-2,3-dione (PubChem CID 18941525) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 6-amino-7-methylquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-amino-7-methylquinoxaline-2,3-dione
PubChem CID18941525
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name6-amino-7-methylquinoxaline-2,3-dione
SMILESCc1cc2c(cc1N)=NC(=O)C(=O)N=2
InChIInChI=1S/C9H7N3O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,10H2,1H3
InChIKeyCYFIEOYLOITZKK-UHFFFAOYSA-N
XLogP-1.12
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-methylquinoxaline-2,3-dione?
The IUPAC name of 6-amino-7-methylquinoxaline-2,3-dione (CID 18941525) is 6-amino-7-methylquinoxaline-2,3-dione.
What is the SMILES notation for 6-amino-7-methylquinoxaline-2,3-dione?
The canonical SMILES for 6-amino-7-methylquinoxaline-2,3-dione is Cc1cc2c(cc1N)=NC(=O)C(=O)N=2.
What is the InChIKey of 6-amino-7-methylquinoxaline-2,3-dione?
The InChIKey is CYFIEOYLOITZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,10H2,1H3.
What are the key properties of 6-amino-7-methylquinoxaline-2,3-dione?
6-amino-7-methylquinoxaline-2,3-dione has a molecular weight of 189.17 g/mol, XLogP of -1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-methylquinoxaline-2,3-dione is sourced from PubChem (CID 18941525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).