2-[(3S)-3-Aminopyrrolidin-1-yl]-6-chloro-N-[(1-hydroxycycloheptyl)methyl]-quinoline-5-carboxamide
Basic information
- Standard SMILES
N[C@H]1CCN(c2ccc3c(C(=O)NCC4(O)CCCCCC4)c(Cl)ccc3n2)C1- InChIKey
JKDNZYOJEPWLTP-HNNXBMFYSA-N- Molecular formula
- C22H29ClN4O2
- Average molar mass
- 416.9 g/mol
Names & identifiers
- Preferred name
- 2-[(3S)-3-Aminopyrrolidin-1-yl]-6-chloro-N-[(1-hydroxycycloheptyl)methyl]-quinoline-5-carboxamide
- IUPAC
- 2-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-N-[(1-hydroxycycloheptyl)methyl]quinoline-5-carboxamide
Names & synonyms
SCHEMBL491653JKDNZYOJEPWLTP-HNNXBMFYSA-N2-[(3S)-3-Aminopyrrolidin-1-yl]-6-chloro-N-[(1-hydroxycycloheptyl)methyl]-quinoline-5-carboxamide
Database identifiers
- PubChem CID
- 57733990
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 569
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Related reactions
3 records
Compound notes
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