3-ethyl-4-hydroxy-1-methylquinolin-2-one

C12H13NO2 — CID 54687876

IUPAC3-ethyl-4-hydroxy-1-methylquinolin-2-one
SMILESCCc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C12H13NO2/c1-3-8-11(14)9-6-4-5-7-10(9)13(2)12(8)15/h4-7,14H,3H2,1-2H3
InChIKeyGBIJHNPKJYDJOY-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.81
Rot. Bonds1

About 3-ethyl-4-hydroxy-1-methylquinolin-2-one

3-ethyl-4-hydroxy-1-methylquinolin-2-one (PubChem CID 54687876) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-1-methylquinolin-2-one
PubChem CID54687876
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-ethyl-4-hydroxy-1-methylquinolin-2-one
SMILESCCc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C12H13NO2/c1-3-8-11(14)9-6-4-5-7-10(9)13(2)12(8)15/h4-7,14H,3H2,1-2H3
InChIKeyGBIJHNPKJYDJOY-UHFFFAOYSA-N
XLogP1.81
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-1-methylquinolin-2-one (CID 54687876) is 3-ethyl-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-1-methylquinolin-2-one is CCc1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of 3-ethyl-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is GBIJHNPKJYDJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-8-11(14)9-6-4-5-7-10(9)13(2)12(8)15/h4-7,14H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-hydroxy-1-methylquinolin-2-one?
3-ethyl-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 54687876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).