6-methoxy-1,4-dihydroquinoxaline-2,3-dione

C9H8N2O3 — CID 698550

IUPAC6-methoxy-1,4-dihydroquinoxaline-2,3-dione
SMILESCOc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C9H8N2O3/c1-14-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)
InChIKeyCHTYMWBYHAIEOF-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.22
Rot. Bonds1

About 6-methoxy-1,4-dihydroquinoxaline-2,3-dione

6-methoxy-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 698550) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 6-methoxy-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-methoxy-1,4-dihydroquinoxaline-2,3-dione
PubChem CID698550
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name6-methoxy-1,4-dihydroquinoxaline-2,3-dione
SMILESCOc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C9H8N2O3/c1-14-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)
InChIKeyCHTYMWBYHAIEOF-UHFFFAOYSA-N
XLogP0.22
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxy-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-methoxy-1,4-dihydroquinoxaline-2,3-dione (CID 698550) is 6-methoxy-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-methoxy-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-methoxy-1,4-dihydroquinoxaline-2,3-dione is COc1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-methoxy-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is CHTYMWBYHAIEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-14-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13).
What are the key properties of 6-methoxy-1,4-dihydroquinoxaline-2,3-dione?
6-methoxy-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 192.17 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 698550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).