Basic information
- CAS
69767-44-8- Standard SMILES
COc1cc2cc(-c3ccccn3)nc(N)c2cc1OC- InChIKey
UNQLRETWAQYHAR-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.11642673
Names & identifiers
- Preferred name
- 1-Isoquinolinamine, 6,7-dimethoxy-3-(2-pyridinyl)-
- IUPAC
- 6,7-dimethoxy-3-pyridin-2-ylisoquinolin-1-amine
Names & synonyms
6,7-dimethoxy-3-(pyridin-2-yl)isoquinolin-1-amineNSC6045161-Isoquinolinamine, 6,7-dimethoxy-3-(2-pyridinyl)-69767-44-8DTXSID00326616NSC-604516
Database identifiers
- CAS
69767-44-8- PubChem CID
- 354073
- DTXSID
DTXSID00326616
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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