Basic information
- Standard SMILES
CCN(CC)C(=O)Oc1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2n1- InChIKey
XAYDGLLZGUFYFE-UHFFFAOYSA-N- Molecular formula
- C28H34Cl2N4O3
- Average molar mass
- 545.5 g/mol
- Monoisotopic mass
- 544.2007963
Names & identifiers
- Preferred name
- 7-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)quinolin-2-yl diethylcarbamate
- IUPAC
- [7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-diethylcarbamate
Names & synonyms
SCHEMBL9979020XAYDGLLZGUFYFE-UHFFFAOYSA-N7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)quinolin-2-yl diethylcarbamate
Database identifiers
- PubChem CID
- 57501580
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 692
Related reactions
2 records
Compound notes
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