ethyl 2,3-dimethylquinoxaline-6-carboxylate

C13H14N2O2 — CID 2826621

IUPACethyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C13H14N2O2/c1-4-17-13(16)10-5-6-11-12(7-10)15-9(3)8(2)14-11/h5-7H,4H2,1-3H3
InChIKeyUDUQPOGWJUMYLA-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.42
Rot. Bonds2

About ethyl 2,3-dimethylquinoxaline-6-carboxylate

ethyl 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 2826621) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is ethyl 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID2826621
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Nameethyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C13H14N2O2/c1-4-17-13(16)10-5-6-11-12(7-10)15-9(3)8(2)14-11/h5-7H,4H2,1-3H3
InChIKeyUDUQPOGWJUMYLA-UHFFFAOYSA-N
XLogP2.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of ethyl 2,3-dimethylquinoxaline-6-carboxylate (CID 2826621) is ethyl 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for ethyl 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for ethyl 2,3-dimethylquinoxaline-6-carboxylate is CCOC(=O)c1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of ethyl 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is UDUQPOGWJUMYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-4-17-13(16)10-5-6-11-12(7-10)15-9(3)8(2)14-11/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 2,3-dimethylquinoxaline-6-carboxylate?
ethyl 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 2826621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).