methyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate

C12H12N2O4 — CID 20720189

IUPACmethyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate
SMILESCOC(=O)c1c(C)c(C)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C12H12N2O4/c1-5-4-7-9(14-11(16)10(15)13-7)8(6(5)2)12(17)18-3/h4H,1-3H3,(H,13,15)(H,14,16)
InChIKeyZGDPSFPMHSJRMI-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.62
Rot. Bonds1

About methyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate

methyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate (PubChem CID 20720189) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is methyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate.

Molecular Properties

Compound Namemethyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate
PubChem CID20720189
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Namemethyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate
SMILESCOC(=O)c1c(C)c(C)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C12H12N2O4/c1-5-4-7-9(14-11(16)10(15)13-7)8(6(5)2)12(17)18-3/h4H,1-3H3,(H,13,15)(H,14,16)
InChIKeyZGDPSFPMHSJRMI-UHFFFAOYSA-N
XLogP0.62
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-5-methyl-1,4-dihydroquinoxaline-2,3-dione
CID 142746096
methyl 4-methyl-6-oxo-1H-pyridazine-5-carboxylate
CID 74890468
dimethyl 3-bromo-4,5-dimethylbenzene-1,2-dicarboxylate
CID 164920115
methyl 5,6-dimethyl-1H-indole-2-carboxylate
CID 10867407
dimethyl 1-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)azepine-2,3-dicarboxylate
CID 168646538
dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate
CID 15441123
dimethyl 3,5-dimethylbenzene-1,2-dicarboxylate
CID 11499546
methyl 2-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 130083978
2-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-5-carbonyl)amino]acetic acid
CID 10268050
methyl 3-bromo-5-methyl-6-oxo-1H-pyridine-2-carboxylate
CID 131508040
methyl 3-acetyl-2-hydroxy-4,5-dimethylbenzoate
CID 165349168
dimethyl 3-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632019

Frequently Asked Questions

What is the IUPAC name of methyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate?
The IUPAC name of methyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate (CID 20720189) is methyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate.
What is the SMILES notation for methyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate?
The canonical SMILES for methyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate is COC(=O)c1c(C)c(C)cc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of methyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate?
The InChIKey is ZGDPSFPMHSJRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-5-4-7-9(14-11(16)10(15)13-7)8(6(5)2)12(17)18-3/h4H,1-3H3,(H,13,15)(H,14,16).
What are the key properties of methyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate?
methyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate has a molecular weight of 248.24 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,7-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-5-carboxylate is sourced from PubChem (CID 20720189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).