N-[6-Chloro-2-[(3S)-3-hydroxy-1-pyrrolidinyl]-5-quinolinyl]-cyclohexaneacetamide
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Basic information
- Standard SMILES
O=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(N3CC[C@H](O)C3)ccc12- InChIKey
DBDLZCQFOAKMKS-HNNXBMFYSA-N- Molecular formula
- C21H26ClN3O2
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1713548
Names & identifiers
- Preferred name
- N-[6-Chloro-2-[(3S)-3-hydroxy-1-pyrrolidinyl]-5-quinolinyl]-cyclohexaneacetamide
- IUPAC
- N-[6-chloro-2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-cyclohexylacetamide
Names & synonyms
SCHEMBL1804218DBDLZCQFOAKMKS-HNNXBMFYSA-NN-[6-Chloro-2-[(3S)-3-hydroxy-1-pyrrolidinyl]-5-quinolinyl]-cyclohexaneacetamide
Database identifiers
- PubChem CID
- 59768617
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Related reactions
2 records
Compound notes
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