Basic information
- CAS
327049-63-8- Standard SMILES
COc1ccc2nc(C)cc(Nc3cccc(C(=O)O)c3)c2c1- InChIKey
HIIKTNLDOPHXLM-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.11609238
Names & identifiers
- Preferred name
- 3-[(6-Methoxy-2-methylquinolin-4-yl)amino]benzoic acid
- IUPAC
- 3-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoic acid
Names & synonyms
3-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoic acid327049-63-83-[(6-methoxy-2-methyl-4-quinolyl)amino]benzoic acid3-((6-methoxy-2-methylquinolin-4-yl)amino)benzoic acidOprea1_120413Oprea1_582846MLS0012104263-(6-Methoxy-2-methyl-quinolin-4-ylamino)-benzoic acidCHEMBL1463867DTXSID901331164HMS2830E13STL553858
Show more names
AKOS000541540SMR000514917ST50004047
Database identifiers
- CAS
327049-63-8- PubChem CID
- 797012
- DTXSID
DTXSID901331164- ChEMBL
CHEMBL1463867
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Experimental & physicochemical properties
Solubility3.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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