Basic information
- Standard SMILES
Cc1nc2ccc(N3CCC(N(C)C)C3)cc2c(-c2ccc(S(C)(=O)=O)cc2)c1C(=O)C(F)(F)F- InChIKey
HSCVWFYRIUXBBU-UHFFFAOYSA-N- Molecular formula
- C25H26F3N3O3S
- Average molar mass
- 505.6 g/mol
- Monoisotopic mass
- 505.16469736
Names & identifiers
- Preferred name
- 1-[6-(3-Dimethylamino-pyrrolidin-1-yl)-4-(4-methanesulfonyl-phenyl)-2-methyl-quinolin-3-yl]-2,2,2-trifluoro-ethanone
- IUPAC
- 1-[6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-4-(4-methylsulfonylphenyl)quinolin-3-yl]-2,2,2-trifluoroethanone
Names & synonyms
1-[6-(3-Dimethylamino-pyrrolidin-1-yl)-4-(4-methanesulfonyl-phenyl)-2-methyl-quinolin-3-yl]-2,2,2-trifluoro-ethanoneSCHEMBL2820848
Database identifiers
- PubChem CID
- 11670633
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 867
Related reactions
2 records
Compound notes
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