3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline
Basic information
- CAS
23862-72-8- Standard SMILES
CC1(C)Cc2ccccc2C(c2ccccn2)=N1- InChIKey
QTEZWJVHWHCJDX-UHFFFAOYSA-N- Molecular formula
- C16H16N2
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.13134852
Names & identifiers
- Preferred name
- 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline
- IUPAC
- 3,3-dimethyl-1-pyridin-2-yl-4H-isoquinoline
Names & synonyms
23862-72-83,3-dimethyl-1-pyridin-2-yl-4H-isoquinolineNSC218348DTXSID10309874NSC-2183483,3-Dimethyl-1-(pyridin-2-yl)-3,4-dihydroisoquinoline
Database identifiers
- CAS
23862-72-8- PubChem CID
- 311862
- DTXSID
DTXSID10309874
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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