Basic information
- CAS
63919-13-1- Standard SMILES
COc1ccc2[nH+]ccc(C(O)Cc3[nH+]ccc4ccccc34)c2c1.[Cl-].[Cl-]- InChIKey
KTUXEHNBBHDTPH-UHFFFAOYSA-N- Molecular formula
- C21H20Cl2N2O2
- Average molar mass
- 403.3 g/mol
- Monoisotopic mass
- 402.0901833
Names & identifiers
- Preferred name
- 2-(Isoquinolin-1-yl)-1-(6-methoxyquinolin-4-yl)ethan-1-ol--hydrogen chloride (1/2)
- IUPAC
- 2-isoquinolin-2-ium-1-yl-1-(6-methoxyquinolin-1-ium-4-yl)ethanol dichloride
Names & synonyms
63919-13-1DTXSID809811462-(Isoquinolin-1-yl)-1-(6-methoxyquinolin-4-yl)ethan-1-ol--hydrogen chloride (1/2)RefChem:1061872DTXCID301408418alpha-(6-Methoxyquinol-4-yl)isoquinolineethanol dihydrochlorideISOQUINOLINEETHANOL, alpha-(6-METHOXYQUINOL-4-YL)-, DIHYDROCHLORIDE
Database identifiers
- CAS
63919-13-1- PubChem CID
- 45463
Properties
Computed structural properties
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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