3-acetyl-1,6-diethylquinolin-4-one

C15H17NO2 — CID 58801712

IUPAC3-acetyl-1,6-diethylquinolin-4-one
SMILESCCc1ccc2c(c1)c(=O)c(C(C)=O)cn2CC
InChIInChI=1S/C15H17NO2/c1-4-11-6-7-14-12(8-11)15(18)13(10(3)17)9-16(14)5-2/h6-9H,4-5H2,1-3H3
InChIKeyIGZVMQKTBUQANA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.79
Rot. Bonds3

About 3-acetyl-1,6-diethylquinolin-4-one

3-acetyl-1,6-diethylquinolin-4-one (PubChem CID 58801712) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-acetyl-1,6-diethylquinolin-4-one.

Molecular Properties

Compound Name3-acetyl-1,6-diethylquinolin-4-one
PubChem CID58801712
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-acetyl-1,6-diethylquinolin-4-one
SMILESCCc1ccc2c(c1)c(=O)c(C(C)=O)cn2CC
InChIInChI=1S/C15H17NO2/c1-4-11-6-7-14-12(8-11)15(18)13(10(3)17)9-16(14)5-2/h6-9H,4-5H2,1-3H3
InChIKeyIGZVMQKTBUQANA-UHFFFAOYSA-N
XLogP2.79
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-1,6-diethylquinolin-4-one;3-acetyl-6-ethyl-1H-quinolin-4-one;ethane;6-ethyl-1-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid
CID 161100741
1-(1-ethyl-5-hydroxyindol-3-yl)ethanone
CID 117121155
1-ethyl-6-[3-(2-hydroxyethoxy)propyl]-4-oxoquinoline-3-carboxylic acid
CID 59864149
6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 59819428
ethyl 3-acetyl-1-ethylindole-5-carboxylate
CID 170857395
2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560579
N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 42582572
1-(1,5-diethylindol-3-yl)ethanol
CID 83945334
methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947740
2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 16825368
6-[3-(2-aminoethylamino)propyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 87662977
2,2-dimethylpropanoyloxymethyl 6-(3-aminopropyl)-1-ethyl-4-oxoquinoline-3-carboxylate
CID 69449220

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1,6-diethylquinolin-4-one?
The IUPAC name of 3-acetyl-1,6-diethylquinolin-4-one (CID 58801712) is 3-acetyl-1,6-diethylquinolin-4-one.
What is the SMILES notation for 3-acetyl-1,6-diethylquinolin-4-one?
The canonical SMILES for 3-acetyl-1,6-diethylquinolin-4-one is CCc1ccc2c(c1)c(=O)c(C(C)=O)cn2CC.
What is the InChIKey of 3-acetyl-1,6-diethylquinolin-4-one?
The InChIKey is IGZVMQKTBUQANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-11-6-7-14-12(8-11)15(18)13(10(3)17)9-16(14)5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-acetyl-1,6-diethylquinolin-4-one?
3-acetyl-1,6-diethylquinolin-4-one has a molecular weight of 243.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1,6-diethylquinolin-4-one is sourced from PubChem (CID 58801712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).