Basic information
- Standard SMILES
Cn1cc2c(=O)n(-c3ccc(C(=O)O)cc3)nc-2c2ccccc21- InChIKey
RMFRFOYRIRMQCW-UHFFFAOYSA-N- Molecular formula
- C18H13N3O3
- Average molar mass
- 319.3 g/mol
Names & identifiers
- Preferred name
- 4-(5-Methyl-3-oxo-3,5-dihydro-pyrazolo[4,3-c]quinolin-2-yl)-benzoic acid
- IUPAC
- 4-(5-methyl-3-oxopyrazolo[4,3-c]quinolin-2-yl)benzoic acid
Names & synonyms
SCHEMBL5777303RMFRFOYRIRMQCW-UHFFFAOYSA-N4-(5-methyl-3-oxo-3,5-dihydro-pyrazolo[4,3-c]quinolin-2-yl)-benzoic acid
Database identifiers
- PubChem CID
- 9901581
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 619
Related reactions
2 records
Compound notes
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