6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one

C20H18FNO4 — CID 71699329

IUPAC6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one
SMILESCOc1cc(-n2c(-c3cccc(F)c3)cccc2=O)cc(OC)c1OC
InChIInChI=1S/C20H18FNO4/c1-24-17-11-15(12-18(25-2)20(17)26-3)22-16(8-5-9-19(22)23)13-6-4-7-14(21)10-13/h4-12H,1-3H3
InChIKeyQLKGKQINTFUHEF-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.67
Rot. Bonds5

About 6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one

6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one (PubChem CID 71699329) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one
PubChem CID71699329
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one
SMILESCOc1cc(-n2c(-c3cccc(F)c3)cccc2=O)cc(OC)c1OC
InChIInChI=1S/C20H18FNO4/c1-24-17-11-15(12-18(25-2)20(17)26-3)22-16(8-5-9-19(22)23)13-6-4-7-14(21)10-13/h4-12H,1-3H3
InChIKeyQLKGKQINTFUHEF-UHFFFAOYSA-N
XLogP3.67
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one?
The IUPAC name of 6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one (CID 71699329) is 6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one.
What is the SMILES notation for 6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one?
The canonical SMILES for 6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one is COc1cc(-n2c(-c3cccc(F)c3)cccc2=O)cc(OC)c1OC.
What is the InChIKey of 6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one?
The InChIKey is QLKGKQINTFUHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-24-17-11-15(12-18(25-2)20(17)26-3)22-16(8-5-9-19(22)23)13-6-4-7-14(21)10-13/h4-12H,1-3H3.
What are the key properties of 6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one?
6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one has a molecular weight of 355.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one is sourced from PubChem (CID 71699329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).