[4-(8-Bromo-2-oxo-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-3-methyl-pyrazol-1-yl]-acetic acid
Basic information
- Standard SMILES
Cc1nn(CC(=O)O)cc1-n1c(=O)[nH]c2cnc3ccc(Br)cc3c21- InChIKey
HIWGFMSZNIXIHF-UHFFFAOYSA-N- Molecular formula
- C16H12BrN5O3
- Average molar mass
- 402.2 g/mol
- Monoisotopic mass
- 401.01235
Names & identifiers
- Preferred name
- [4-(8-Bromo-2-oxo-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-3-methyl-pyrazol-1-yl]-acetic acid
- IUPAC
- 2-[4-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)-3-methylpyrazol-1-yl]acetic acid
Names & synonyms
SCHEMBL2068583HIWGFMSZNIXIHF-UHFFFAOYSA-N[4-(8-Bromo-2-oxo-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-3-methyl-pyrazol-1-yl]-acetic acid
Database identifiers
- PubChem CID
- 59619756
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 564
Related reactions
4 records
Compound notes
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