Basic information
- CAS
67987-12-6- Standard SMILES
COC(=O)c1ccnc2c(CN3CCCCC3)cc(O)c(Br)c12- InChIKey
MSTXOSAFZLYOLK-UHFFFAOYSA-N- Molecular formula
- C17H19BrN2O3
- Average molar mass
- 379.2 g/mol
- Monoisotopic mass
- 378.05791
Names & identifiers
- Preferred name
- Methyl 5-bromo-6-hydroxy-8-(1-piperidinylmethyl)-4-quinolinecarboxylate
- IUPAC
- methyl 5-bromo-6-hydroxy-8-(piperidin-1-ylmethyl)quinoline-4-carboxylate
Names & synonyms
Methyl 5-bromo-6-hydroxy-8-(1-piperidinylmethyl)-4-quinolinecarboxylate67987-12-64-Quinolinecarboxylic acid, 5-bromo-6-hydroxy-8-(1-piperidinylmethyl)-, methyl esterDTXSID50218178Methyl 5-bromo-6-hydroxy-8-[(piperidin-1-yl)methyl]quinoline-4-carboxylate
Database identifiers
- CAS
67987-12-6- PubChem CID
- 152829
- DTXSID
DTXSID50218178
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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