methyl 2,3-dioxoquinoxaline-6-carboxylate

C10H6N2O4 — CID 45034974

IUPACmethyl 2,3-dioxoquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=NC(=O)C(=O)N=2
InChIInChI=1S/C10H6N2O4/c1-16-10(15)5-2-3-6-7(4-5)12-9(14)8(13)11-6/h2-4H,1H3
InChIKeyXSNJDTDYPOTEIL-UHFFFAOYSA-N
MW218.17 g/mol
LogP-1.22
Rot. Bonds1

About methyl 2,3-dioxoquinoxaline-6-carboxylate

methyl 2,3-dioxoquinoxaline-6-carboxylate (PubChem CID 45034974) has the molecular formula C10H6N2O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is methyl 2,3-dioxoquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dioxoquinoxaline-6-carboxylate
PubChem CID45034974
Molecular FormulaC10H6N2O4
Molecular Weight218.17 g/mol
Exact Mass218.03
IUPAC Namemethyl 2,3-dioxoquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=NC(=O)C(=O)N=2
InChIInChI=1S/C10H6N2O4/c1-16-10(15)5-2-3-6-7(4-5)12-9(14)8(13)11-6/h2-4H,1H3
InChIKeyXSNJDTDYPOTEIL-UHFFFAOYSA-N
XLogP-1.22
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
CID 159558349
CID 159558349
CID 70265363
CID 70265363
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate
CID 15661384
ethene;4-methoxycarbonylbenzenecarboperoxoic acid
CID 87669855
sodium 4-methoxycarbonylbenzenethiolate
CID 102377874
azane;dimethyl benzene-1,3-dicarboxylate;hydron
CID 175196363
methyl 2H-benzotriazole-5-carboxylate
CID 6409672
methyl (9E)-9-(2-methoxycarbonylfluoren-9-ylidene)fluorene-2-carboxylate
CID 14593436
methyl 3-amino-4-hydrazinylbenzoate
CID 22411187

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dioxoquinoxaline-6-carboxylate?
The IUPAC name of methyl 2,3-dioxoquinoxaline-6-carboxylate (CID 45034974) is methyl 2,3-dioxoquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2,3-dioxoquinoxaline-6-carboxylate?
The canonical SMILES for methyl 2,3-dioxoquinoxaline-6-carboxylate is COC(=O)c1ccc2c(c1)=NC(=O)C(=O)N=2.
What is the InChIKey of methyl 2,3-dioxoquinoxaline-6-carboxylate?
The InChIKey is XSNJDTDYPOTEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4/c1-16-10(15)5-2-3-6-7(4-5)12-9(14)8(13)11-6/h2-4H,1H3.
What are the key properties of methyl 2,3-dioxoquinoxaline-6-carboxylate?
methyl 2,3-dioxoquinoxaline-6-carboxylate has a molecular weight of 218.17 g/mol, XLogP of -1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dioxoquinoxaline-6-carboxylate is sourced from PubChem (CID 45034974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).