ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate

C13H14N2O3 — CID 86157030

IUPACethyl 2-(3-methylquinoxalin-2-yl)oxyacetate
SMILESCCOC(=O)COc1nc2ccccc2nc1C
InChIInChI=1S/C13H14N2O3/c1-3-17-12(16)8-18-13-9(2)14-10-6-4-5-7-11(10)15-13/h4-7H,3,8H2,1-2H3
InChIKeySTKCNIQMZPZGDR-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.88
Rot. Bonds4

About ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate

ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate (PubChem CID 86157030) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-methylquinoxalin-2-yl)oxyacetate
PubChem CID86157030
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl 2-(3-methylquinoxalin-2-yl)oxyacetate
SMILESCCOC(=O)COc1nc2ccccc2nc1C
InChIInChI=1S/C13H14N2O3/c1-3-17-12(16)8-18-13-9(2)14-10-6-4-5-7-11(10)15-13/h4-7H,3,8H2,1-2H3
InChIKeySTKCNIQMZPZGDR-UHFFFAOYSA-N
XLogP1.88
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
CID 741296
ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate
CID 170790136
2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 2453790
2-(4-chlorobutoxy)-3-methylquinoxaline
CID 139626429
ethyl 3-(quinoxalin-2-ylamino)propanoate
CID 47439650
ethyl 4-(3-methylquinoxalin-2-yl)sulfanylbutanoate
CID 134060289
ethyl 2-[(3-methylquinoxalin-2-yl)-propan-2-ylamino]acetate
CID 62375691
ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
CID 3085207
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate
CID 134128969
ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate
CID 164553275
ethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate
CID 21135881

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate?
The IUPAC name of ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate (CID 86157030) is ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate?
The canonical SMILES for ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate is CCOC(=O)COc1nc2ccccc2nc1C.
What is the InChIKey of ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate?
The InChIKey is STKCNIQMZPZGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-17-12(16)8-18-13-9(2)14-10-6-4-5-7-11(10)15-13/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate?
ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate has a molecular weight of 246.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate is sourced from PubChem (CID 86157030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).