Basic information
- Standard SMILES
COC(=O)CC1Cc2ccc(OCCN)cc2NC1=O.O=C(O)C(F)(F)F- InChIKey
KBOBNVVYYICHLR-UHFFFAOYSA-N- Molecular formula
- C16H19F3N2O6
- Average molar mass
- 392.33 g/mol
- Monoisotopic mass
- 392.11952082
Names & identifiers
- Preferred name
- [7-(2-Amino-ethoxy)-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]-acetic Acid Methyl Ester Trifluoroacetate
- IUPAC
- methyl 2-[7-(2-aminoethoxy)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetate;2,2,2-trifluoroacetic acid
Names & synonyms
[7-(2-Amino-ethoxy)-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]-acetic Acid Methyl Ester TrifluoroacetateSCHEMBL7075230
Database identifiers
- PubChem CID
- 69979259
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 445
Related reactions
2 records
Compound notes
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