7-oxo-1,2,3,3-tetramethyl-5-trifluoromethyl-2,3,7,8-tetrahydro-1H-pyrrolo [3,2-g] quinoline
Basic information
- CAS
58721-75-8- Standard SMILES
CC1N(C)c2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2C1(C)C- InChIKey
MLMXURVUXDFYOS-UHFFFAOYSA-N- Molecular formula
- C16H17F3N2O
- Average molar mass
- 310.31 g/mol
- Monoisotopic mass
- 310.12929766
Names & identifiers
- Preferred name
- 7-oxo-1,2,3,3-tetramethyl-5-trifluoromethyl-2,3,7,8-tetrahydro-1H-pyrrolo [3,2-g] quinoline
- IUPAC
- 1,2,3,3-tetramethyl-5-(trifluoromethyl)-2,8-dihydropyrrolo[3,2-g]quinolin-7-one
Names & synonyms
NSC28211258721-75-87-oxo-1,2,3,3-tetramethyl-5-trifluoromethyl-2,3,7,8-tetrahydro-1H-pyrrolo [3,2-g] quinolineDTXSID40314350NSC-282112DS-0092221,2,3,3-Tetramethyl-5-(trifluoromethyl)-1,2,3,8-tetrahydro-7H-pyrrolo[3,2-g]quinolin-7-one7H-pyrrolo[3,2-g]quinolin-7-one, 1,2,3,8-tetrahydro-1,2,3,3-tetramethyl-5-(trifluoromethyl)-
Database identifiers
- CAS
58721-75-8- PubChem CID
- 323233
- DTXSID
DTXSID40314350
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 526
Related reactions
3 records
Compound notes
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