Basic information
- Standard SMILES
CCc1[nH]c2c(Cl)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(C(=O)C(C)C)cc1- InChIKey
BUMYUNUHMZBVBO-UHFFFAOYSA-N- Molecular formula
- C25H26ClNO5
- Average molar mass
- 455.9 g/mol
- Monoisotopic mass
- 455.1499506
Names & identifiers
- Preferred name
- [8-Chloro-2-ethyl-3-(4-isobutyrylbenzyl)-4-oxo-1,4-dihydroquinolin-5-yloxy]acetic acid methyl ester
- IUPAC
- methyl 2-[[8-chloro-2-ethyl-3-[[4-(2-methylpropanoyl)phenyl]methyl]-4-oxo-1H-quinolin-5-yl]oxy]acetate
Names & synonyms
SCHEMBL2571353BUMYUNUHMZBVBO-UHFFFAOYSA-N[8-chloro-2-ethyl-3-(4-isobutyrylbenzyl)-4-oxo-1,4-dihydroquinolin-5-yloxy]acetic acid methyl ester
Database identifiers
- PubChem CID
- 67456772
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 741
Related reactions
5 records
Compound notes
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