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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Related Compounds

5-imidazol-1-yl-3-propan-2-yl-1H-benzimidazol-2-one
CID 11413816
sodium N-[4-(7-imidazol-1-yl-2,3-dioxo-4H-quinoxalin-1-yl)butyl]sulfamate
CID 23689962
8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
CID 18928142
6-methoxy-4-methyl-1H-quinoxaline-2,3-dione
CID 13437023
6-(4-imidazol-1-ylanilino)sulfanyl-7-methyl-1,4-dihydroquinoxaline-2,3-dione
CID 166464043
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
4-(4-imidazol-1-ylphenyl)-1H-1,2,4-triazol-5-one
CID 10704484
3-(6-bromo-1-methylindol-3-yl)-4-(6-imidazol-1-yl-1-methylindol-3-yl)pyrrole-2,5-dione
CID 10228767
4,7-dimethyl-1H-quinoxaline-2,3-dione
CID 18788081
5-[2-(4-imidazol-1-ylphenyl)-3H-benzimidazol-5-yl]-3,6-dimethyl-6H-1,3,4-thiadiazin-2-one
CID 143804870
5-imidazol-1-yl-2-benzofuran-1,3-dione
CID 174269134
4-imidazol-1-yl-2-methylaniline
CID 14450260

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).