1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one

C18H16FNO2 — CID 110612527

IUPAC1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)CCc2ccccc2F)c2ccccc21
InChIInChI=1S/C18H16FNO2/c19-15-7-3-1-5-13(15)9-10-18(22)20-12-11-17(21)14-6-2-4-8-16(14)20/h1-8H,9-12H2
InChIKeyXUAYAZYNEASCLY-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.38
Rot. Bonds3

About 1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one

1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one (PubChem CID 110612527) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one
PubChem CID110612527
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)CCc2ccccc2F)c2ccccc21
InChIInChI=1S/C18H16FNO2/c19-15-7-3-1-5-13(15)9-10-18(22)20-12-11-17(21)14-6-2-4-8-16(14)20/h1-8H,9-12H2
InChIKeyXUAYAZYNEASCLY-UHFFFAOYSA-N
XLogP3.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one
CID 110612549
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991
1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
CID 109000166
1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one
CID 107014965
1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
CID 110424740
4-amino-1-[3-(2-fluorophenyl)propanoyl]piperidin-2-one
CID 112534635
6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110634848
4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 110427340
1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 110424755
1-(3-methylsulfanylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336610
1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one (CID 110612527) is 1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)CCc2ccccc2F)c2ccccc21.
What is the InChIKey of 1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one?
The InChIKey is XUAYAZYNEASCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c19-15-7-3-1-5-13(15)9-10-18(22)20-12-11-17(21)14-6-2-4-8-16(14)20/h1-8H,9-12H2.
What are the key properties of 1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one?
1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one has a molecular weight of 297.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110612527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).