Basic information
- Standard SMILES
COc1ccc2occ(CC(C)N3CCN(c4cc(Cl)cc5cccnc45)CC3)c2c1- InChIKey
CEALIYNJRIIPQW-UHFFFAOYSA-N- Molecular formula
- C25H26ClN3O2
- Average molar mass
- 435.9 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-8-{4-[2-(5-methoxy-1-benzofuran-3-yl)-1-methylethyl)piperazin-1-yl]quinoline
- IUPAC
- 6-chloro-8-[4-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]piperazin-1-yl]quinoline
Names & synonyms
SCHEMBL4143649CEALIYNJRIIPQW-UHFFFAOYSA-N6-chloro-8-{4-[2-(5-methoxy-1-benzofuran-3-yl)-1-methylethyl)piperazin-1-yl]quinoline
Database identifiers
- PubChem CID
- 11259124
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 587
Related reactions
2 records
Compound notes
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