Basic information
- Standard SMILES
COC(=O)COc1ccc(Cl)c2[nH]c(C(C)C)c(Cc3ccc(-n4cccn4)cc3)c(=O)c12- InChIKey
XXOJXURXLCLYCU-UHFFFAOYSA-N- Molecular formula
- C25H24ClN3O4
- Average molar mass
- 465.9 g/mol
- Monoisotopic mass
- 465.1455339
Names & identifiers
- Preferred name
- [8-Chloro-2-isopropyl-4-oxo-3-(4-pyrazol-1-ylbenzyl)-1,4-dihydroquinolin-5-yloxy]acetic acid methyl ester
- IUPAC
- methyl 2-[[8-chloro-4-oxo-2-propan-2-yl-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-5-yl]oxy]acetate
Names & synonyms
SCHEMBL2571350XXOJXURXLCLYCU-UHFFFAOYSA-N[8-chloro-2-isopropyl-4-oxo-3-(4-pyrazol-1-ylbenzyl)-1,4-dihydroquinolin-5-yloxy]acetic acid methyl ester
Database identifiers
- PubChem CID
- 67456771
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 750
Related reactions
5 records
Compound notes
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