3-ethyl-2,6-dimethyl-1H-quinolin-4-one

C13H15NO — CID 757913

IUPAC3-ethyl-2,6-dimethyl-1H-quinolin-4-one
SMILESCCc1c(C)[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C13H15NO/c1-4-10-9(3)14-12-6-5-8(2)7-11(12)13(10)15/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyVKLIMHJBTINSOZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.71
Rot. Bonds1

About 3-ethyl-2,6-dimethyl-1H-quinolin-4-one

3-ethyl-2,6-dimethyl-1H-quinolin-4-one (PubChem CID 757913) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-ethyl-2,6-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-ethyl-2,6-dimethyl-1H-quinolin-4-one
PubChem CID757913
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-ethyl-2,6-dimethyl-1H-quinolin-4-one
SMILESCCc1c(C)[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C13H15NO/c1-4-10-9(3)14-12-6-5-8(2)7-11(12)13(10)15/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyVKLIMHJBTINSOZ-UHFFFAOYSA-N
XLogP2.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6-dimethyl-1H-quinolin-4-one?
The IUPAC name of 3-ethyl-2,6-dimethyl-1H-quinolin-4-one (CID 757913) is 3-ethyl-2,6-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-ethyl-2,6-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-ethyl-2,6-dimethyl-1H-quinolin-4-one is CCc1c(C)[nH]c2ccc(C)cc2c1=O.
What is the InChIKey of 3-ethyl-2,6-dimethyl-1H-quinolin-4-one?
The InChIKey is VKLIMHJBTINSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-10-9(3)14-12-6-5-8(2)7-11(12)13(10)15/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of 3-ethyl-2,6-dimethyl-1H-quinolin-4-one?
3-ethyl-2,6-dimethyl-1H-quinolin-4-one has a molecular weight of 201.27 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 757913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).