9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid

C19H19N2O7+ — CID 90466220

About 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid

9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid (PubChem CID 90466220) has the molecular formula C19H19N2O7+ and a molecular weight of 387.37 g/mol. Its IUPAC name is 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid.

Molecular Properties

• Compound Name: 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid
• PubChem CID: 90466220
• Molecular Formula: C19H19N2O7+
• Molecular Weight: 387.37 g/mol
• Exact Mass: 387.12
• IUPAC Name: 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid
• SMILES: COc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c(O)cc1-3.O=[N+]([O-])O
• InChI: InChI=1S/C19H17NO4.HNO3/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2;2-1(3)4/h3-4,7-10,22H,5-6H2,1-2H3;(H,2,3,4)/p+1
• InChIKey: HYZBICMCDIKTHL-UHFFFAOYSA-O
• XLogP: 2.43
• TPSA: 126.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.37
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid?

The IUPAC name of 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid (CID 90466220) is 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid.

What is the SMILES notation for 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid?

The canonical SMILES for 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid is COc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c(O)cc1-3.O=[N+]([O-])O.

What is the InChIKey of 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid?

The InChIKey is HYZBICMCDIKTHL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17NO4.HNO3/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2;2-1(3)4/h3-4,7-10,22H,5-6H2,1-2H3;(H,2,3,4)/p+1.

What are the key properties of 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid?

9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid has a molecular weight of 387.37 g/mol, XLogP of 2.43, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol;nitric acid is sourced from PubChem (CID 90466220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).