3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one

C24H23NO7 — CID 54720974

IUPAC3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one
SMILESCOc1ccccc1Cn1c(C)cc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c1=O
InChIInChI=1S/C24H23NO7/c1-13-11-16(26)20(23(27)25(13)12-14-7-5-6-8-17(14)29-2)21-15-9-10-18(30-3)22(31-4)19(15)24(28)32-21/h5-11,21,26H,12H2,1-4H3
InChIKeyZZUNKXIATIJFKL-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.20
Rot. Bonds6

About 3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one

3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one (PubChem CID 54720974) has the molecular formula C24H23NO7 and a molecular weight of 437.45 g/mol. Its IUPAC name is 3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one
PubChem CID54720974
Molecular FormulaC24H23NO7
Molecular Weight437.45 g/mol
Exact Mass437.15
IUPAC Name3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one
SMILESCOc1ccccc1Cn1c(C)cc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c1=O
InChIInChI=1S/C24H23NO7/c1-13-11-16(26)20(23(27)25(13)12-14-7-5-6-8-17(14)29-2)21-15-9-10-18(30-3)22(31-4)19(15)24(28)32-21/h5-11,21,26H,12H2,1-4H3
InChIKeyZZUNKXIATIJFKL-UHFFFAOYSA-N
XLogP3.20
TPSA96.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one?
The IUPAC name of 3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one (CID 54720974) is 3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one is COc1ccccc1Cn1c(C)cc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c1=O.
What is the InChIKey of 3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one?
The InChIKey is ZZUNKXIATIJFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO7/c1-13-11-16(26)20(23(27)25(13)12-14-7-5-6-8-17(14)29-2)21-15-9-10-18(30-3)22(31-4)19(15)24(28)32-21/h5-11,21,26H,12H2,1-4H3.
What are the key properties of 3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one?
3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one has a molecular weight of 437.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-one is sourced from PubChem (CID 54720974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).