1-(3-chloro-2-methylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one

C26H19ClN2O5 — CID 108589572

About 1-(3-chloro-2-methylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one

1-(3-chloro-2-methylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108589572) has the molecular formula C26H19ClN2O5 and a molecular weight of 474.90 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-(3-chloro-2-methylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one
• PubChem CID: 108589572
• Molecular Formula: C26H19ClN2O5
• Molecular Weight: 474.90 g/mol
• Exact Mass: 474.10
• IUPAC Name: 1-(3-chloro-2-methylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one
• SMILES: COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4C)C3c3ccccn3)oc12
• InChI: InChI=1S/C26H19ClN2O5/c1-14-16(27)8-6-10-18(14)29-22(17-9-3-4-12-28-17)21(24(31)26(29)32)23(30)20-13-15-7-5-11-19(33-2)25(15)34-20/h3-13,22,31H,1-2H3
• InChIKey: PYIOQFGBUSYDBG-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 92.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.90
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(3-chloro-2-methylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108589572) is 1-(3-chloro-2-methylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one.

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

The canonical SMILES for 1-(3-chloro-2-methylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one is COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4C)C3c3ccccn3)oc12.

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

The InChIKey is PYIOQFGBUSYDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O5/c1-14-16(27)8-6-10-18(14)29-22(17-9-3-4-12-28-17)21(24(31)26(29)32)23(30)20-13-15-7-5-11-19(33-2)25(15)34-20/h3-13,22,31H,1-2H3.

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

1-(3-chloro-2-methylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 474.90 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-2-methylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108589572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).