4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine
Basic information
- CAS
64157-49-9- Standard SMILES
CCNc1ncc2ccccc2c1-c1ccc(N2CCN(CCCl)CC2)cc1- InChIKey
GCCAIXWIAOJDFZ-UHFFFAOYSA-N- Molecular formula
- C23H27ClN4
- Average molar mass
- 394.9 g/mol
- Monoisotopic mass
- 394.1924246
Names & identifiers
- Preferred name
- 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine
- IUPAC
- 4-[4-[4-(2-chloroethyl)piperazin-1-yl]phenyl]-N-ethylisoquinolin-3-amine
Names & synonyms
64157-49-9NSC277094DTXSID903137724-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amineNSC-277094DS-0013373-ISOQUINOLINAMINE,4-[4-[4-(2-CHLOROETHYL)-1-PIPERAZINYL]PHENYL]-N-ETHYL-
Database identifiers
- CAS
64157-49-9- PubChem CID
- 321934
- DTXSID
DTXSID90313772
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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