Basic information
- Standard SMILES
CN1CCCc2c(Br)cc(C(=O)O)c(N)c21- InChIKey
XBAZFVUOJNEABV-UHFFFAOYSA-N- Molecular formula
- C11H13BrN2O2
- Average molar mass
- 285.14 g/mol
Names & identifiers
- Preferred name
- 8-Amino-5-bromo-1-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid
- IUPAC
- 8-amino-5-bromo-1-methyl-3,4-dihydro-2H-quinoline-7-carboxylic acid
Names & synonyms
SCHEMBL13858075XBAZFVUOJNEABV-UHFFFAOYSA-N8-amino-5-bromo-1-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid
Database identifiers
- PubChem CID
- 89188577
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 287
Related reactions
2 records
Compound notes
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