ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate

C12H12N2O4 — CID 117372969

IUPACethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate
SMILESCCOC(=O)C(O)c1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C12H12N2O4/c1-2-18-12(17)11(16)7-3-4-8-9(5-7)13-6-10(15)14-8/h3-6,11,16H,2H2,1H3,(H,14,15)
InChIKeyQLUTYHKIYIMDPX-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.52
Rot. Bonds3

About ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate

ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate (PubChem CID 117372969) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate
PubChem CID117372969
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Nameethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate
SMILESCCOC(=O)C(O)c1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C12H12N2O4/c1-2-18-12(17)11(16)7-3-4-8-9(5-7)13-6-10(15)14-8/h3-6,11,16H,2H2,1H3,(H,14,15)
InChIKeyQLUTYHKIYIMDPX-UHFFFAOYSA-N
XLogP0.52
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate (CID 117372969) is ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate is CCOC(=O)C(O)c1ccc2[nH]c(=O)cnc2c1.
What is the InChIKey of ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate?
The InChIKey is QLUTYHKIYIMDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-2-18-12(17)11(16)7-3-4-8-9(5-7)13-6-10(15)14-8/h3-6,11,16H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate?
ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate has a molecular weight of 248.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate is sourced from PubChem (CID 117372969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).