2-(6-Bromo-2-hydroxy-4-phenylquinolin-3-yl)acetic acid
Basic information
- CAS
65418-09-9- Standard SMILES
O=C(O)Cc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O- InChIKey
BUKVDFRKLWQRDI-UHFFFAOYSA-N- Molecular formula
- C17H12BrNO3
- Average molar mass
- 358.2 g/mol
- Monoisotopic mass
- 357.00006
Names & identifiers
- Preferred name
- 2-(6-Bromo-2-hydroxy-4-phenylquinolin-3-yl)acetic acid
- IUPAC
- 2-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid
Names & synonyms
65418-09-92-(6-bromo-2-hydroxy-4-phenylquinolin-3-yl)acetic acidZINC90438792-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acidIFLab1_006321Oprea1_030666MLS000777233CHEMBL1884903DTXSID901331245HMS1429P07HMS2742D21
Show more names
MFCD03807631STK560911AKOS001209508AKOS005486471NCGC00674567-01SMR000413628ZINC000009043879(6bromo2hydroxy4phenylquinolin3yl)aceticacid
Database identifiers
- CAS
65418-09-9- PubChem CID
- 1386992
- DTXSID
DTXSID901331245- ChEMBL
CHEMBL1884903
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 496
Experimental & physicochemical properties
Solubility50.2 [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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