Basic information
- Standard SMILES
O=C(NC1CCCCCC1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1- InChIKey
OGORRBBJVGBSII-UHFFFAOYSA-N- Molecular formula
- C21H27ClN4O
- Average molar mass
- 386.9 g/mol
Names & identifiers
- Preferred name
- 7-Chloro-4-[4-(cycloheptylaminocarbonyl)piperazin-1-yl]quinoline
- IUPAC
- 4-(7-chloroquinolin-4-yl)-N-cycloheptylpiperazine-1-carboxamide
Names & synonyms
SCHEMBL5639580OGORRBBJVGBSII-UHFFFAOYSA-N7-Chloro-4-[4-(cycloheptylaminocarbonyl)piperazin-1-yl]quinoline
Database identifiers
- PubChem CID
- 21101799
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 489
Related reactions
2 records
Compound notes
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