Basic information
- Standard SMILES
CN1CCCc2c(Br)cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(N)c21- InChIKey
BMTDUZVVAHOCCL-KBPBESRZSA-N- Molecular formula
- C17H24BrN3O2
- Average molar mass
- 382.3 g/mol
Names & identifiers
- Preferred name
- 8-amino-5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methyl-1,2,3,4-tetrahydroquinoline-7-carboxamide
- IUPAC
- 8-amino-5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide
Names & synonyms
SCHEMBL13976220BMTDUZVVAHOCCL-KBPBESRZSA-N8-amino-5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methyl-1,2,3,4-tetrahydroquinoline-7-carboxamide
Database identifiers
- PubChem CID
- 89216070
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
Related reactions
2 records
Compound notes
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