Basic information
- Standard SMILES
Nc1cc(N2CCN(C(=O)N[C@H]3CCCCNC3=O)CC2)c2ccc(Cl)cc2n1- InChIKey
QTRHRNNNUCTYRT-HNNXBMFYSA-N- Molecular formula
- C20H25ClN6O2
- Average molar mass
- 416.9 g/mol
- Monoisotopic mass
- 416.1727518
Names & identifiers
- Preferred name
- 4-(2-Amino-7-chloro-4-quinolinyl)-N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-1-piperazinecarboxamide
- IUPAC
- 4-(2-amino-7-chloroquinolin-4-yl)-N-[(3S)-2-oxoazepan-3-yl]piperazine-1-carboxamide
Names & synonyms
SCHEMBL5636850QTRHRNNNUCTYRT-HNNXBMFYSA-N4-(2-Amino-7-chloro-4-quinolinyl)-N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-1-piperazinecarboxamide
Database identifiers
- PubChem CID
- 9866641
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 600
Related reactions
1 records
Compound notes
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