6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione

C10H10N2O4 — CID 613780

IUPAC6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione
SMILESCOc1cc2[nH]c(=O)c(=O)[nH]c2cc1OC
InChIInChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChIKeyAVEIMNFUPXGCJQ-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.23
Rot. Bonds2

About 6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione

6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 613780) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione
PubChem CID613780
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione
SMILESCOc1cc2[nH]c(=O)c(=O)[nH]c2cc1OC
InChIInChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChIKeyAVEIMNFUPXGCJQ-UHFFFAOYSA-N
XLogP0.23
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione (CID 613780) is 6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione is COc1cc2[nH]c(=O)c(=O)[nH]c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is AVEIMNFUPXGCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5/h3-4H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione?
6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 222.20 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 613780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).