6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione

C12H10N4O2 — CID 10800184

IUPAC6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)[nH]c2ccc(-n3ccnc3)cc21
InChIInChI=1S/C12H10N4O2/c1-15-10-6-8(16-5-4-13-7-16)2-3-9(10)14-11(17)12(15)18/h2-7H,1H3,(H,14,17)
InChIKeyMZMDUNPIQSWLOX-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.41
Rot. Bonds1

About 6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione

6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione (PubChem CID 10800184) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione
PubChem CID10800184
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)[nH]c2ccc(-n3ccnc3)cc21
InChIInChI=1S/C12H10N4O2/c1-15-10-6-8(16-5-4-13-7-16)2-3-9(10)14-11(17)12(15)18/h2-7H,1H3,(H,14,17)
InChIKeyMZMDUNPIQSWLOX-UHFFFAOYSA-N
XLogP0.41
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione?
The IUPAC name of 6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione (CID 10800184) is 6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione?
The canonical SMILES for 6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione is Cn1c(=O)c(=O)[nH]c2ccc(-n3ccnc3)cc21.
What is the InChIKey of 6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione?
The InChIKey is MZMDUNPIQSWLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-15-10-6-8(16-5-4-13-7-16)2-3-9(10)14-11(17)12(15)18/h2-7H,1H3,(H,14,17).
What are the key properties of 6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione?
6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione has a molecular weight of 242.24 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-methyl-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 10800184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).