Basic information
- Standard SMILES
CCOC(=O)C1CCN(c2ccc3c(C(=O)NCCC4CCCCC4)c(Cl)ccc3n2)CC1- InChIKey
AUYUIEYMZZYZJY-UHFFFAOYSA-N- Molecular formula
- C26H34ClN3O3
- Average molar mass
- 472 g/mol
- Monoisotopic mass
- 471.2288696
Names & identifiers
- Preferred name
- 1-[6-Chloro-5-[[(2-cyclohexylethyl)amino]carbonyl]-2-quinolinyl]-4-piperidinecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-[6-chloro-5-(2-cyclohexylethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylate
Names & synonyms
SCHEMBL3837434AUYUIEYMZZYZJY-UHFFFAOYSA-N1-[6-Chloro-5-[[(2-cyclohexylethyl)amino]carbonyl]-2-quinolinyl]-4 piperidinecarboxylic acid ethyl ester1-[6-chloro-5-[[(2-cyclohexylethyl)amino]carbonyl]-2-quinolinyl]-4-piperidinecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 68808940
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 649
Related reactions
4 records
Compound notes
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