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

C19H18FNO2 — CID 110612549

IUPAC1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)CCCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C19H18FNO2/c20-15-10-8-14(9-11-15)4-3-7-19(23)21-13-12-18(22)16-5-1-2-6-17(16)21/h1-2,5-6,8-11H,3-4,7,12-13H2
InChIKeyQOLXJBZZYMQEMO-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.77
Rot. Bonds4

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

1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one (PubChem CID 110612549) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one
PubChem CID110612549
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)CCCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C19H18FNO2/c20-15-10-8-14(9-11-15)4-3-7-19(23)21-13-12-18(22)16-5-1-2-6-17(16)21/h1-2,5-6,8-11H,3-4,7,12-13H2
InChIKeyQOLXJBZZYMQEMO-UHFFFAOYSA-N
XLogP3.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one
CID 110612527
1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110634848
3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
CID 110424740
2,2-dimethyl-1-(4-phenylbutanoyl)-3H-quinolin-4-one
CID 167644306
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 113140362
1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one
CID 110612575
1-(3-methylsulfanylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336610
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one (CID 110612549) is 1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)CCCc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one?
The InChIKey is QOLXJBZZYMQEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-15-10-8-14(9-11-15)4-3-7-19(23)21-13-12-18(22)16-5-1-2-6-17(16)21/h1-2,5-6,8-11H,3-4,7,12-13H2.
What are the key properties of 1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one?
1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one has a molecular weight of 311.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110612549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).