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

C26H23NO3 — CID 14303770

IUPAC2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one
SMILESCOc1cccc(-c2c(C)c(=O)cc(-c3ccccc3)n2-c2ccccc2)c1OC
InChIInChI=1S/C26H23NO3/c1-18-23(28)17-22(19-11-6-4-7-12-19)27(20-13-8-5-9-14-20)25(18)21-15-10-16-24(29-2)26(21)30-3/h4-17H,1-3H3
InChIKeyUKQIODRVRIZLKU-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.50
Rot. Bonds5

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

2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one (PubChem CID 14303770) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one
PubChem CID14303770
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one
SMILESCOc1cccc(-c2c(C)c(=O)cc(-c3ccccc3)n2-c2ccccc2)c1OC
InChIInChI=1S/C26H23NO3/c1-18-23(28)17-22(19-11-6-4-7-12-19)27(20-13-8-5-9-14-20)25(18)21-15-10-16-24(29-2)26(21)30-3/h4-17H,1-3H3
InChIKeyUKQIODRVRIZLKU-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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Related Compounds

2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303765
2-(2-chlorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303714
6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one
CID 14303860
1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14303546
2-(4-fluorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303719
3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one
CID 14303736
2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one
CID 14621245
1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14500012
1,2,6-triphenylpyridin-4-one
CID 13088641
2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one
CID 102338690
2-[3-(3,4,5-trimethoxyphenyl)phenyl]isoindole-1,3-dione
CID 168517559
1,2-dimethoxy-3-(3-methoxyphenyl)benzene
CID 57121160

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one (CID 14303770) is 2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one is COc1cccc(-c2c(C)c(=O)cc(-c3ccccc3)n2-c2ccccc2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one?
The InChIKey is UKQIODRVRIZLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-18-23(28)17-22(19-11-6-4-7-12-19)27(20-13-8-5-9-14-20)25(18)21-15-10-16-24(29-2)26(21)30-3/h4-17H,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one?
2-(2,3-dimethoxyphenyl)-3-methyl-1,6-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 2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one is sourced from PubChem (CID 14303770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).