ethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate

C13H12N2O4 — CID 117404362

IUPACethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc2nc(OC)cnc2c1
InChIInChI=1S/C13H12N2O4/c1-3-19-13(17)12(16)8-4-5-9-10(6-8)14-7-11(15-9)18-2/h4-7H,3H2,1-2H3
InChIKeyQYHJUPYMLGNAFP-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.38
Rot. Bonds4

About ethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate

ethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate (PubChem CID 117404362) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is ethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate
PubChem CID117404362
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Nameethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc2nc(OC)cnc2c1
InChIInChI=1S/C13H12N2O4/c1-3-19-13(17)12(16)8-4-5-9-10(6-8)14-7-11(15-9)18-2/h4-7H,3H2,1-2H3
InChIKeyQYHJUPYMLGNAFP-UHFFFAOYSA-N
XLogP1.38
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-methoxyquinoxaline-6-carboxylate
CID 89443102
ethyl 2-(3-ethoxy-4-methoxyphenyl)-2-oxoacetate
CID 91657232
ethyl 2-(1-methylindazol-5-yl)-2-oxoacetate
CID 86700316
ethyl 2-(1,2-benzoxazol-5-yl)-2-oxoacetate
CID 117311787
ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate
CID 175538196
ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate
CID 53231119
ethyl 2-(5-chloro-2-methoxyquinolin-6-yl)-2-oxoacetate
CID 117473809
ethyl 6-methoxyquinoxaline-2-carboxylate
CID 22917221
ethyl 2-oxo-2-phenylacetate
CID 15349
2-methylquinoxaline-6-carboxamide
CID 89421881
ethyl 2-(3-chloro-4-methylphenyl)-2-oxoacetate
CID 24722247
ethyl 2-[3-(methoxymethyl)phenyl]-2-oxoacetate
CID 117317819

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate (CID 117404362) is ethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate is CCOC(=O)C(=O)c1ccc2nc(OC)cnc2c1.
What is the InChIKey of ethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate?
The InChIKey is QYHJUPYMLGNAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-3-19-13(17)12(16)8-4-5-9-10(6-8)14-7-11(15-9)18-2/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate?
ethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate has a molecular weight of 260.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate is sourced from PubChem (CID 117404362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).