ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate

C17H16N4O3 — CID 134114694

IUPACethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1Oc1nc(C)cc(C)n1
InChIInChI=1S/C17H16N4O3/c1-4-23-16(22)14-15(21-13-8-6-5-7-12(13)20-14)24-17-18-10(2)9-11(3)19-17/h5-9H,4H2,1-3H3
InChIKeyGBDRPISECWCAGO-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.01
Rot. Bonds4

About ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate

ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate (PubChem CID 134114694) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate
PubChem CID134114694
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Nameethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1Oc1nc(C)cc(C)n1
InChIInChI=1S/C17H16N4O3/c1-4-23-16(22)14-15(21-13-8-6-5-7-12(13)20-14)24-17-18-10(2)9-11(3)19-17/h5-9H,4H2,1-3H3
InChIKeyGBDRPISECWCAGO-UHFFFAOYSA-N
XLogP3.01
TPSA87.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate (CID 134114694) is ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate is CCOC(=O)c1nc2ccccc2nc1Oc1nc(C)cc(C)n1.
What is the InChIKey of ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate?
The InChIKey is GBDRPISECWCAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-4-23-16(22)14-15(21-13-8-6-5-7-12(13)20-14)24-17-18-10(2)9-11(3)19-17/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate?
ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4,6-dimethylpyrimidin-2-yl)oxyquinoxaline-2-carboxylate is sourced from PubChem (CID 134114694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).