4-ethyl-1,3-dimethylquinolin-2-one

C13H15NO — CID 27048

IUPAC4-ethyl-1,3-dimethylquinolin-2-one
SMILESCCc1c(C)c(=O)n(C)c2ccccc12
InChIInChI=1S/C13H15NO/c1-4-10-9(2)13(15)14(3)12-8-6-5-7-11(10)12/h5-8H,4H2,1-3H3
InChIKeyOCIMGLNGQNDLND-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.41
Rot. Bonds1

About 4-ethyl-1,3-dimethylquinolin-2-one

4-ethyl-1,3-dimethylquinolin-2-one (PubChem CID 27048) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-ethyl-1,3-dimethylquinolin-2-one.

Molecular Properties

Compound Name4-ethyl-1,3-dimethylquinolin-2-one
PubChem CID27048
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-ethyl-1,3-dimethylquinolin-2-one
SMILESCCc1c(C)c(=O)n(C)c2ccccc12
InChIInChI=1S/C13H15NO/c1-4-10-9(2)13(15)14(3)12-8-6-5-7-11(10)12/h5-8H,4H2,1-3H3
InChIKeyOCIMGLNGQNDLND-UHFFFAOYSA-N
XLogP2.41
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dimethylquinolin-2-one?
The IUPAC name of 4-ethyl-1,3-dimethylquinolin-2-one (CID 27048) is 4-ethyl-1,3-dimethylquinolin-2-one.
What is the SMILES notation for 4-ethyl-1,3-dimethylquinolin-2-one?
The canonical SMILES for 4-ethyl-1,3-dimethylquinolin-2-one is CCc1c(C)c(=O)n(C)c2ccccc12.
What is the InChIKey of 4-ethyl-1,3-dimethylquinolin-2-one?
The InChIKey is OCIMGLNGQNDLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-10-9(2)13(15)14(3)12-8-6-5-7-11(10)12/h5-8H,4H2,1-3H3.
What are the key properties of 4-ethyl-1,3-dimethylquinolin-2-one?
4-ethyl-1,3-dimethylquinolin-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dimethylquinolin-2-one is sourced from PubChem (CID 27048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).