8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine

C114H106N8O4+4 — CID 158802440

About 8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine

8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 158802440) has the molecular formula C114H106N8O4+4 and a molecular weight of 1652.15 g/mol. Its IUPAC name is 8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 158802440
• Molecular Formula: C114H106N8O4+4
• Molecular Weight: 1652.15 g/mol
• Exact Mass: 1650.83
• IUPAC Name: 8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(oc3ncccc32)c1-c1c(-c2cccc(C(C)C)c2)ccc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1c(-c2cccc(C3CCCC3)c2)ccc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cc(-c2cccc(C3CCCC3)c2)cc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1ccc(-c2cccc(C3CCCC3)c2)c[n+]1C
• InChI: InChI=1S/3C29H27N2O.C27H25N2O/c1-19-14-15-24-25-12-6-16-30-29(25)32-28(24)26(19)27-23(13-7-17-31(27)2)22-11-5-10-21(18-22)20-8-3-4-9-20;1-19-12-14-24-25-11-6-16-30-29(25)32-28(24)27(19)26-15-13-23(18-31(26)2)22-10-5-9-21(17-22)20-7-3-4-8-20;1-19-12-13-24-25-11-6-15-30-29(25)32-28(24)27(19)26-18-23(14-16-31(26)2)22-10-5-9-21(17-22)20-7-3-4-8-20;1-17(2)19-8-5-9-20(16-19)21-11-7-15-29(4)25(21)24-18(3)12-13-22-23-10-6-14-28-27(23)30-26(22)24/h5-7,10-18,20H,3-4,8-9H2,1-2H3;2*5-6,9-18,20H,3-4,7-8H2,1-2H3;5-17H,1-4H3/q4*+1
• InChIKey: YEPVAZFMLGVFBE-UHFFFAOYSA-N
• XLogP: 27.89
• TPSA: 119.64 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1652.15
LogP ≤ 5	27.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 158802440) is 8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3ncccc32)c1-c1c(-c2cccc(C(C)C)c2)ccc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1c(-c2cccc(C3CCCC3)c2)ccc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cc(-c2cccc(C3CCCC3)c2)cc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1ccc(-c2cccc(C3CCCC3)c2)c[n+]1C.

What is the InChIKey of 8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

The InChIKey is YEPVAZFMLGVFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C29H27N2O.C27H25N2O/c1-19-14-15-24-25-12-6-16-30-29(25)32-28(24)26(19)27-23(13-7-17-31(27)2)22-11-5-10-21(18-22)20-8-3-4-9-20;1-19-12-14-24-25-11-6-16-30-29(25)32-28(24)27(19)26-15-13-23(18-31(26)2)22-10-5-9-21(17-22)20-7-3-4-8-20;1-19-12-13-24-25-11-6-15-30-29(25)32-28(24)27(19)26-18-23(14-16-31(26)2)22-10-5-9-21(17-22)20-7-3-4-8-20;1-17(2)19-8-5-9-20(16-19)21-11-7-15-29(4)25(21)24-18(3)12-13-22-23-10-6-14-28-27(23)30-26(22)24/h5-7,10-18,20H,3-4,8-9H2,1-2H3;2*5-6,9-18,20H,3-4,7-8H2,1-2H3;5-17H,1-4H3/q4*+1.

What are the key properties of 8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1652.15 g/mol, XLogP of 27.89, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(3-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-3-(3-propan-2-ylphenyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 158802440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).