6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one

C26H23NO3 — CID 14303860

IUPAC6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one
SMILESCOc1ccc(OC)c(-c2cc(=O)c(C)c(-c3ccccc3)n2-c2ccccc2)c1
InChIInChI=1S/C26H23NO3/c1-18-24(28)17-23(22-16-21(29-2)14-15-25(22)30-3)27(20-12-8-5-9-13-20)26(18)19-10-6-4-7-11-19/h4-17H,1-3H3
InChIKeyKQAADTRLAFWNSN-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.50
Rot. Bonds5

About 6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one

6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one (PubChem CID 14303860) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one
PubChem CID14303860
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one
SMILESCOc1ccc(OC)c(-c2cc(=O)c(C)c(-c3ccccc3)n2-c2ccccc2)c1
InChIInChI=1S/C26H23NO3/c1-18-24(28)17-23(22-16-21(29-2)14-15-25(22)30-3)27(20-12-8-5-9-13-20)26(18)19-10-6-4-7-11-19/h4-17H,1-3H3
InChIKeyKQAADTRLAFWNSN-UHFFFAOYSA-N
XLogP5.50
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one (CID 14303860) is 6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one is COc1ccc(OC)c(-c2cc(=O)c(C)c(-c3ccccc3)n2-c2ccccc2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one?
The InChIKey is KQAADTRLAFWNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-18-24(28)17-23(22-16-21(29-2)14-15-25(22)30-3)27(20-12-8-5-9-13-20)26(18)19-10-6-4-7-11-19/h4-17H,1-3H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one?
6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one has a molecular weight of 397.47 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one is sourced from PubChem (CID 14303860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).