8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline

C109H84N11O5+5 — CID 161282244

About 8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline

8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline (PubChem CID 161282244) has the molecular formula C109H84N11O5+5 and a molecular weight of 1627.94 g/mol. Its IUPAC name is 8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

• Compound Name: 8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline
• PubChem CID: 161282244
• Molecular Formula: C109H84N11O5+5
• Molecular Weight: 1627.94 g/mol
• Exact Mass: 1626.66
• IUPAC Name: 8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline
• SMILES: Cc1ccc2c(oc3cc4ccccc4nc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cc4cccnc4cc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cc4ccncc4cc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cc4cnccc4cc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3nc4ccccc4cc32)c1-c1ccnc[n+]1C
• InChI: InChI=1S/4C22H17N2O.C21H16N3O/c1-14-8-9-16-17-13-18-15(6-5-10-23-18)12-20(17)25-22(16)21(14)19-7-3-4-11-24(19)2;1-14-10-11-16-21-19(13-15-7-3-4-8-17(15)23-21)25-22(16)20(14)18-9-5-6-12-24(18)2;1-14-6-7-17-18-11-16-13-23-9-8-15(16)12-20(18)25-22(17)21(14)19-5-3-4-10-24(19)2;1-14-6-7-17-18-11-15-8-9-23-13-16(15)12-20(18)25-22(17)21(14)19-5-3-4-10-24(19)2;1-13-7-8-15-16-11-14-5-3-4-6-17(14)23-21(16)25-20(15)19(13)18-9-10-22-12-24(18)2/h4*3-13H,1-2H3;3-12H,1-2H3/q5*+1
• InChIKey: RTEPXYMSWBZNAU-UHFFFAOYSA-N
• XLogP: 24.07
• TPSA: 162.44 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1627.94
LogP ≤ 5	24.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline?

The IUPAC name of 8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline (CID 161282244) is 8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline.

What is the SMILES notation for 8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline?

The canonical SMILES for 8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline is Cc1ccc2c(oc3cc4ccccc4nc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cc4cccnc4cc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cc4ccncc4cc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cc4cnccc4cc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3nc4ccccc4cc32)c1-c1ccnc[n+]1C.

What is the InChIKey of 8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline?

The InChIKey is RTEPXYMSWBZNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H17N2O.C21H16N3O/c1-14-8-9-16-17-13-18-15(6-5-10-23-18)12-20(17)25-22(16)21(14)19-7-3-4-11-24(19)2;1-14-10-11-16-21-19(13-15-7-3-4-8-17(15)23-21)25-22(16)20(14)18-9-5-6-12-24(18)2;1-14-6-7-17-18-11-16-13-23-9-8-15(16)12-20(18)25-22(17)21(14)19-5-3-4-10-24(19)2;1-14-6-7-17-18-11-15-8-9-23-13-16(15)12-20(18)25-22(17)21(14)19-5-3-4-10-24(19)2;1-13-7-8-15-16-11-14-5-3-4-6-17(14)23-21(16)25-20(15)19(13)18-9-10-22-12-24(18)2/h4*3-13H,1-2H3;3-12H,1-2H3/q5*+1.

What are the key properties of 8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline?

8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline has a molecular weight of 1627.94 g/mol, XLogP of 24.07, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]quinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-g]quinoline;3-methyl-4-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 161282244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).