[3-(4-chlorobenzyl)-4,7-dimethylquinolin-5-yloxy]acetic Acid
Basic information
- Standard SMILES
Cc1cc(OCC(=O)O)c2c(C)c(Cc3ccc(Cl)cc3)cnc2c1- InChIKey
DWNCTEPKVBAHEZ-UHFFFAOYSA-N- Molecular formula
- C20H18ClNO3
- Average molar mass
- 355.8 g/mol
- Monoisotopic mass
- 355.0975211
Names & identifiers
- Preferred name
- [3-(4-chlorobenzyl)-4,7-dimethylquinolin-5-yloxy]acetic Acid
- IUPAC
- 2-[3-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-5-yl]oxyacetic acid
Names & synonyms
SCHEMBL3776046DWNCTEPKVBAHEZ-UHFFFAOYSA-N[3-(4-chlorobenzyl)-4,7-dimethylquinolin-5-yloxy]acetic Acid
Database identifiers
- PubChem CID
- 57742511
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 452
Related reactions
2 records
Compound notes
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