6,7-dimethoxyquinoxaline-2,3-dione;hydrate

C10H10N2O5 — CID 75192750

IUPAC6,7-dimethoxyquinoxaline-2,3-dione;hydrate
SMILESCOc1cc2c(cc1OC)=NC(=O)C(=O)N=2.O
InChIInChI=1S/C10H8N2O4.H2O/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5;/h3-4H,1-2H3;1H2
InChIKeyLOPKETOJAKEUTA-UHFFFAOYSA-N
MW238.20 g/mol
LogP-1.81
Rot. Bonds2

About 6,7-dimethoxyquinoxaline-2,3-dione;hydrate

6,7-dimethoxyquinoxaline-2,3-dione;hydrate (PubChem CID 75192750) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 6,7-dimethoxyquinoxaline-2,3-dione;hydrate.

Molecular Properties

Compound Name6,7-dimethoxyquinoxaline-2,3-dione;hydrate
PubChem CID75192750
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name6,7-dimethoxyquinoxaline-2,3-dione;hydrate
SMILESCOc1cc2c(cc1OC)=NC(=O)C(=O)N=2.O
InChIInChI=1S/C10H8N2O4.H2O/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5;/h3-4H,1-2H3;1H2
InChIKeyLOPKETOJAKEUTA-UHFFFAOYSA-N
XLogP-1.81
TPSA108.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-1.81
H-Bond Donors ≤ 50
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-dimethoxyquinoxaline-2,3-dione;hydrate?
The IUPAC name of 6,7-dimethoxyquinoxaline-2,3-dione;hydrate (CID 75192750) is 6,7-dimethoxyquinoxaline-2,3-dione;hydrate.
What is the SMILES notation for 6,7-dimethoxyquinoxaline-2,3-dione;hydrate?
The canonical SMILES for 6,7-dimethoxyquinoxaline-2,3-dione;hydrate is COc1cc2c(cc1OC)=NC(=O)C(=O)N=2.O.
What is the InChIKey of 6,7-dimethoxyquinoxaline-2,3-dione;hydrate?
The InChIKey is LOPKETOJAKEUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4.H2O/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5;/h3-4H,1-2H3;1H2.
What are the key properties of 6,7-dimethoxyquinoxaline-2,3-dione;hydrate?
6,7-dimethoxyquinoxaline-2,3-dione;hydrate has a molecular weight of 238.20 g/mol, XLogP of -1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxyquinoxaline-2,3-dione;hydrate is sourced from PubChem (CID 75192750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).