3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one

C13H15NO4 — CID 54716421

IUPAC3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one
SMILESCCOc1c(O)c2c(O)cccc2n(CC)c1=O
InChIInChI=1S/C13H15NO4/c1-3-14-8-6-5-7-9(15)10(8)11(16)12(13(14)17)18-4-2/h5-7,15-16H,3-4H2,1-2H3
InChIKeyVEXVJJZZAFZPAK-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.83
Rot. Bonds3

About 3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one

3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one (PubChem CID 54716421) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one.

Molecular Properties

Compound Name3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one
PubChem CID54716421
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one
SMILESCCOc1c(O)c2c(O)cccc2n(CC)c1=O
InChIInChI=1S/C13H15NO4/c1-3-14-8-6-5-7-9(15)10(8)11(16)12(13(14)17)18-4-2/h5-7,15-16H,3-4H2,1-2H3
InChIKeyVEXVJJZZAFZPAK-UHFFFAOYSA-N
XLogP1.83
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one?
The IUPAC name of 3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one (CID 54716421) is 3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one.
What is the SMILES notation for 3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one?
The canonical SMILES for 3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one is CCOc1c(O)c2c(O)cccc2n(CC)c1=O.
What is the InChIKey of 3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one?
The InChIKey is VEXVJJZZAFZPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-3-14-8-6-5-7-9(15)10(8)11(16)12(13(14)17)18-4-2/h5-7,15-16H,3-4H2,1-2H3.
What are the key properties of 3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one?
3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one has a molecular weight of 249.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-ethyl-4,5-dihydroxyquinolin-2-one is sourced from PubChem (CID 54716421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).