4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline

C104H82N15O5+5 — CID 159301498

About 4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline

4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline (PubChem CID 159301498) has the molecular formula C104H82N15O5+5 and a molecular weight of 1621.90 g/mol. Its IUPAC name is 4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

• Compound Name: 4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline
• PubChem CID: 159301498
• Molecular Formula: C104H82N15O5+5
• Molecular Weight: 1621.90 g/mol
• Exact Mass: 1620.66
• IUPAC Name: 4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline
• SMILES: Cc1ccc2c(oc3nc4ccccc4cc32)c1-c1cccn[n+]1C.Cc1ccc2c(oc3nc4ccccc4cc32)c1-c1cncc[n+]1C.Cc1ccc2c(oc3nc4ccccc4cc32)c1-c1n(C)cc[n+]1C.Cc1ccc2c(oc3nc4ccccc4cc32)c1-c1nccc[n+]1C.Cc1ccc2c(oc3nc4ccccc4cc32)c1-n1ccc[n+]1C
• InChI: InChI=1S/C21H18N3O.3C21H16N3O.C20H16N3O/c1-13-8-9-15-16-12-14-6-4-5-7-17(14)22-20(16)25-19(15)18(13)21-23(2)10-11-24(21)3;1-13-8-9-15-16-12-14-6-3-4-7-17(14)23-21(16)25-19(15)18(13)20-22-10-5-11-24(20)2;1-13-9-10-15-16-12-14-6-3-4-7-17(14)23-21(16)25-20(15)19(13)18-8-5-11-22-24(18)2;1-13-7-8-15-16-11-14-5-3-4-6-17(14)23-21(16)25-20(15)19(13)18-12-22-9-10-24(18)2;1-13-8-9-15-16-12-14-6-3-4-7-17(14)21-20(16)24-19(15)18(13)23-11-5-10-22(23)2/h4-12H,1-3H3;3*3-12H,1-2H3;3-12H,1-2H3/q5*+1
• InChIKey: QRJRUKQIKNXDIB-UHFFFAOYSA-N
• XLogP: 21.32
• TPSA: 198.08 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1621.90
LogP ≤ 5	21.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline?

The IUPAC name of 4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline (CID 159301498) is 4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline.

What is the SMILES notation for 4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline?

The canonical SMILES for 4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline is Cc1ccc2c(oc3nc4ccccc4cc32)c1-c1cccn[n+]1C.Cc1ccc2c(oc3nc4ccccc4cc32)c1-c1cncc[n+]1C.Cc1ccc2c(oc3nc4ccccc4cc32)c1-c1n(C)cc[n+]1C.Cc1ccc2c(oc3nc4ccccc4cc32)c1-c1nccc[n+]1C.Cc1ccc2c(oc3nc4ccccc4cc32)c1-n1ccc[n+]1C.

What is the InChIKey of 4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline?

The InChIKey is QRJRUKQIKNXDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N3O.3C21H16N3O.C20H16N3O/c1-13-8-9-15-16-12-14-6-4-5-7-17(14)22-20(16)25-19(15)18(13)21-23(2)10-11-24(21)3;1-13-8-9-15-16-12-14-6-3-4-7-17(14)23-21(16)25-19(15)18(13)20-22-10-5-11-24(20)2;1-13-9-10-15-16-12-14-6-3-4-7-17(14)23-21(16)25-20(15)19(13)18-8-5-11-22-24(18)2;1-13-7-8-15-16-11-14-5-3-4-6-17(14)23-21(16)25-20(15)19(13)18-12-22-9-10-24(18)2;1-13-8-9-15-16-12-14-6-3-4-7-17(14)21-20(16)24-19(15)18(13)23-11-5-10-22(23)2/h4-12H,1-3H3;3*3-12H,1-2H3;3-12H,1-2H3/q5*+1.

What are the key properties of 4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline?

4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline has a molecular weight of 1621.90 g/mol, XLogP of 21.32, 5 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-dimethylimidazol-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[2,3-b]quinoline;3-methyl-4-(1-methylpyrimidin-1-ium-2-yl)-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 159301498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).