4-ethyl-2,8-dimethylisoquinolin-1-one

C13H15NO — CID 115063469

IUPAC4-ethyl-2,8-dimethylisoquinolin-1-one
SMILESCCc1cn(C)c(=O)c2c(C)cccc12
InChIInChI=1S/C13H15NO/c1-4-10-8-14(3)13(15)12-9(2)6-5-7-11(10)12/h5-8H,4H2,1-3H3
InChIKeyHUYVJXLMBRJYTN-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.41
Rot. Bonds1

About 4-ethyl-2,8-dimethylisoquinolin-1-one

4-ethyl-2,8-dimethylisoquinolin-1-one (PubChem CID 115063469) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-ethyl-2,8-dimethylisoquinolin-1-one.

Molecular Properties

Compound Name4-ethyl-2,8-dimethylisoquinolin-1-one
PubChem CID115063469
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-ethyl-2,8-dimethylisoquinolin-1-one
SMILESCCc1cn(C)c(=O)c2c(C)cccc12
InChIInChI=1S/C13H15NO/c1-4-10-8-14(3)13(15)12-9(2)6-5-7-11(10)12/h5-8H,4H2,1-3H3
InChIKeyHUYVJXLMBRJYTN-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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Related Compounds

4-bromo-2,5-dimethylisoquinolin-1-one
CID 134258730
4-ethyl-5-hydroxy-2-methylisoquinolin-1-one
CID 115063411
5-ethyl-7-methyl-1,7-naphthyridin-8-one
CID 145148280
4,5,10-trimethylphenanthridin-6-one
CID 132522082
4-ethyl-7-fluoro-2-methylisoquinolin-1-one
CID 115063450
7-amino-4-ethyl-2-methylisoquinolin-1-one
CID 115063556
2-methyl-4-(2-methylphenyl)isoquinolin-1-one
CID 10377377
2,8-dimethylisoquinolin-1-one;ethane
CID 142953957
2-(1,4-dimethylindol-3-yl)acetaldehyde
CID 117194756
1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one
CID 145026710
4-ethyl-6-methoxy-2-methylisoquinolin-1-one
CID 115063438
5-ethyl-4-methylnaphthalen-1-ol
CID 130033880

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,8-dimethylisoquinolin-1-one?
The IUPAC name of 4-ethyl-2,8-dimethylisoquinolin-1-one (CID 115063469) is 4-ethyl-2,8-dimethylisoquinolin-1-one.
What is the SMILES notation for 4-ethyl-2,8-dimethylisoquinolin-1-one?
The canonical SMILES for 4-ethyl-2,8-dimethylisoquinolin-1-one is CCc1cn(C)c(=O)c2c(C)cccc12.
What is the InChIKey of 4-ethyl-2,8-dimethylisoquinolin-1-one?
The InChIKey is HUYVJXLMBRJYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-10-8-14(3)13(15)12-9(2)6-5-7-11(10)12/h5-8H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,8-dimethylisoquinolin-1-one?
4-ethyl-2,8-dimethylisoquinolin-1-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-2,8-dimethylisoquinolin-1-one is sourced from PubChem (CID 115063469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).