1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

C22H24NO4+ — CID 170191581

About 1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium (PubChem CID 170191581) has the molecular formula C22H24NO4+ and a molecular weight of 366.44 g/mol. Its IUPAC name is 1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium.

Molecular Properties

• Compound Name: 1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
• PubChem CID: 170191581
• Molecular Formula: C22H24NO4+
• Molecular Weight: 366.44 g/mol
• Exact Mass: 366.17
• IUPAC Name: 1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
• SMILES: COc1cc2c(c(OC)c1OC)-c1cc3ccc(C)c(OC)c3c[n+]1CC2
• InChI: InChI=1S/C22H24NO4/c1-13-6-7-14-10-17-19-15(8-9-23(17)12-16(14)20(13)25-3)11-18(24-2)21(26-4)22(19)27-5/h6-7,10-12H,8-9H2,1-5H3/q+1
• InChIKey: VQTWDAVTVMJDQK-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 40.80 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.44
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium?

The IUPAC name of 1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium (CID 170191581) is 1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium.

What is the SMILES notation for 1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium?

The canonical SMILES for 1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium is COc1cc2c(c(OC)c1OC)-c1cc3ccc(C)c(OC)c3c[n+]1CC2.

What is the InChIKey of 1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium?

The InChIKey is VQTWDAVTVMJDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NO4/c1-13-6-7-14-10-17-19-15(8-9-23(17)12-16(14)20(13)25-3)11-18(24-2)21(26-4)22(19)27-5/h6-7,10-12H,8-9H2,1-5H3/q+1.

What are the key properties of 1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium?

1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium has a molecular weight of 366.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,9-tetramethoxy-10-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium is sourced from PubChem (CID 170191581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).