4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one

C19H16FNO2 — CID 166442469

IUPAC4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one
SMILESCC(C)C(=O)c1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C19H16FNO2/c1-11(2)18(22)17-16(12-7-9-13(20)10-8-12)14-5-3-4-6-15(14)21-19(17)23/h3-11H,1-2H3,(H,21,23)
InChIKeyITLFQBOBVVIILY-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.17
Rot. Bonds3

About 4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one

4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one (PubChem CID 166442469) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one
PubChem CID166442469
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one
SMILESCC(C)C(=O)c1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C19H16FNO2/c1-11(2)18(22)17-16(12-7-9-13(20)10-8-12)14-5-3-4-6-15(14)21-19(17)23/h3-11H,1-2H3,(H,21,23)
InChIKeyITLFQBOBVVIILY-UHFFFAOYSA-N
XLogP4.17
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one (CID 166442469) is 4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one is CC(C)C(=O)c1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one?
The InChIKey is ITLFQBOBVVIILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c1-11(2)18(22)17-16(12-7-9-13(20)10-8-12)14-5-3-4-6-15(14)21-19(17)23/h3-11H,1-2H3,(H,21,23).
What are the key properties of 4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one?
4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one has a molecular weight of 309.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one is sourced from PubChem (CID 166442469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).