1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one

C19H16FNO2 — CID 39768161

IUPAC1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one
SMILESCc1cc(=O)n(CC(=O)c2ccc(F)cc2)c2c(C)cccc12
InChIInChI=1S/C19H16FNO2/c1-12-4-3-5-16-13(2)10-18(23)21(19(12)16)11-17(22)14-6-8-15(20)9-7-14/h3-10H,11H2,1-2H3
InChIKeyIBCKFNYMLIOBHF-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.64
Rot. Bonds3

About 1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one

1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one (PubChem CID 39768161) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one
PubChem CID39768161
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one
SMILESCc1cc(=O)n(CC(=O)c2ccc(F)cc2)c2c(C)cccc12
InChIInChI=1S/C19H16FNO2/c1-12-4-3-5-16-13(2)10-18(23)21(19(12)16)11-17(22)14-6-8-15(20)9-7-14/h3-10H,11H2,1-2H3
InChIKeyIBCKFNYMLIOBHF-UHFFFAOYSA-N
XLogP3.64
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one (CID 39768161) is 1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one is Cc1cc(=O)n(CC(=O)c2ccc(F)cc2)c2c(C)cccc12.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one?
The InChIKey is IBCKFNYMLIOBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c1-12-4-3-5-16-13(2)10-18(23)21(19(12)16)11-17(22)14-6-8-15(20)9-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one?
1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one has a molecular weight of 309.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one is sourced from PubChem (CID 39768161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).