4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one

C27H22N2O6 — CID 108589050

About 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108589050) has the molecular formula C27H22N2O6 and a molecular weight of 470.48 g/mol. Its IUPAC name is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one
• PubChem CID: 108589050
• Molecular Formula: C27H22N2O6
• Molecular Weight: 470.48 g/mol
• Exact Mass: 470.15
• IUPAC Name: 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one
• SMILES: COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)C1c1ccccn1
• InChI: InChI=1S/C27H22N2O6/c1-33-19-11-4-3-8-17(19)15-29-23(18-10-5-6-13-28-18)22(25(31)27(29)32)24(30)21-14-16-9-7-12-20(34-2)26(16)35-21/h3-14,23,31H,15H2,1-2H3
• InChIKey: NIGMLCDXKLBSJS-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 102.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.48
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one?

The IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108589050) is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one.

What is the SMILES notation for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one?

The canonical SMILES for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one is COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)C1c1ccccn1.

What is the InChIKey of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one?

The InChIKey is NIGMLCDXKLBSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O6/c1-33-19-11-4-3-8-17(19)15-29-23(18-10-5-6-13-28-18)22(25(31)27(29)32)24(30)21-14-16-9-7-12-20(34-2)26(16)35-21/h3-14,23,31H,15H2,1-2H3.

What are the key properties of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one?

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 470.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108589050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).