Ethyl N-{[6,7-dimethoxy-2-oxo-4-(trifluoromethyl)quinolin-1(2H)-yl]acetyl}phenylalaninate
Basic information
- CAS
908146-58-7- Standard SMILES
CCOC(=O)C(Cc1ccccc1)NC(=O)Cn1c(=O)cc(C(F)(F)F)c2cc(OC)c(OC)cc21- InChIKey
TWEKPDURVCJXRB-UHFFFAOYSA-N- Molecular formula
- C25H25F3N2O6
- Average molar mass
- 506.5 g/mol
- Monoisotopic mass
- 506.16647118
Names & identifiers
- Preferred name
- Ethyl N-{[6,7-dimethoxy-2-oxo-4-(trifluoromethyl)quinolin-1(2H)-yl]acetyl}phenylalaninate
- IUPAC
- ethyl 2-[[2-[6,7-dimethoxy-2-oxo-4-(trifluoromethyl)quinolin-1-yl]acetyl]amino]-3-phenylpropanoate
Names & synonyms
DTXSID601115917908146-58-7Ethyl N-{[6,7-dimethoxy-2-oxo-4-(trifluoromethyl)quinolin-1(2H)-yl]acetyl}phenylalaninatePhenylalanine, N-[[6,7-dimethoxy-2-oxo-4-(trifluoromethyl)-1(2H)-quinolinyl]acetyl]-, ethyl ester
Database identifiers
- CAS
908146-58-7- PubChem CID
- 11620382
- DTXSID
DTXSID601115917- Nikkaji
- J2.338.449C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 827
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Compound notes
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