4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine

C102H99N10O5+5 — CID 158516277

About 4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine

4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine (PubChem CID 158516277) has the molecular formula C102H99N10O5+5 and a molecular weight of 1544.98 g/mol. Its IUPAC name is 4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

• Compound Name: 4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine
• PubChem CID: 158516277
• Molecular Formula: C102H99N10O5+5
• Molecular Weight: 1544.98 g/mol
• Exact Mass: 1543.78
• IUPAC Name: 4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine
• SMILES: CCc1cc[n+](C)c(-c2c(C)ccc3c2oc2ncccc23)c1.CCc1cc[n+](C)c(-c2c(C)cnc3c2oc2ccccc23)c1.CCc1cc[n+](C)c(-c2c(C)ncc3c2oc2ccccc23)c1.Cc1ccc2c(oc3cccnc32)c1-c1cc(C(C)C)cc[n+]1C.Cc1ccc2c(oc3ccncc32)c1-c1cc(C(C)C)cc[n+]1C
• InChI: InChI=1S/2C21H21N2O.3C20H19N2O/c1-13(2)15-8-10-23(4)18(11-15)20-14(3)5-6-16-17-12-22-9-7-19(17)24-21(16)20;1-13(2)15-9-11-23(4)17(12-15)19-14(3)7-8-16-20-18(24-21(16)19)6-5-10-22-20;1-4-14-9-11-22(3)17(12-14)18-13(2)7-8-15-16-6-5-10-21-20(16)23-19(15)18;1-4-14-9-10-22(3)17(11-14)19-13(2)21-12-16-15-7-5-6-8-18(15)23-20(16)19;1-4-14-9-10-22(3)16(11-14)18-13(2)12-21-19-15-7-5-6-8-17(15)23-20(18)19/h2*5-13H,1-4H3;3*5-12H,4H2,1-3H3/q5*+1
• InChIKey: USTQFQNBVOXJMS-UHFFFAOYSA-N
• XLogP: 22.84
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1544.98
LogP ≤ 5	22.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine?

The IUPAC name of 4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine (CID 158516277) is 4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine.

What is the SMILES notation for 4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine?

The canonical SMILES for 4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine is CCc1cc[n+](C)c(-c2c(C)ccc3c2oc2ncccc23)c1.CCc1cc[n+](C)c(-c2c(C)cnc3c2oc2ccccc23)c1.CCc1cc[n+](C)c(-c2c(C)ncc3c2oc2ccccc23)c1.Cc1ccc2c(oc3cccnc32)c1-c1cc(C(C)C)cc[n+]1C.Cc1ccc2c(oc3ccncc32)c1-c1cc(C(C)C)cc[n+]1C.

What is the InChIKey of 4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine?

The InChIKey is USTQFQNBVOXJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21N2O.3C20H19N2O/c1-13(2)15-8-10-23(4)18(11-15)20-14(3)5-6-16-17-12-22-9-7-19(17)24-21(16)20;1-13(2)15-9-11-23(4)17(12-15)19-14(3)7-8-16-20-18(24-21(16)19)6-5-10-22-20;1-4-14-9-11-22(3)17(12-14)18-13(2)7-8-15-16-6-5-10-21-20(16)23-19(15)18;1-4-14-9-10-22(3)17(11-14)19-13(2)21-12-16-15-7-5-6-8-18(15)23-20(16)19;1-4-14-9-10-22(3)16(11-14)18-13(2)12-21-19-15-7-5-6-8-17(15)23-20(18)19/h2*5-13H,1-4H3;3*5-12H,4H2,1-3H3/q5*+1.

What are the key properties of 4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine?

4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine has a molecular weight of 1544.98 g/mol, XLogP of 22.84, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(4-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 158516277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).