1-(4-Ethyl-1-piperazinyl)-6-methyl-3-phenylisoquinoline
Basic information
- CAS
747408-83-9- Standard SMILES
CCN1CCN(c2nc(-c3ccccc3)cc3cc(C)ccc23)CC1- InChIKey
WLWMVZFMNGLPDT-UHFFFAOYSA-N- Molecular formula
- C22H25N3
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.20484781
Names & identifiers
- Preferred name
- 1-(4-Ethyl-1-piperazinyl)-6-methyl-3-phenylisoquinoline
- IUPAC
- 1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinoline
Names & synonyms
CHEMBL11956861-(4-Ethyl-1-piperazinyl)-6-methyl-3-phenylisoquinoline1-(4-ethylpiperazin-1-yl)-6-methyl-3-phenylisoquinolineDTXSID101204979747408-83-9
Database identifiers
- CAS
747408-83-9- PubChem CID
- 44359062
- DTXSID
DTXSID101204979- ChEMBL
CHEMBL1195686- Nikkaji
- J2.038.239B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 19.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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