Basic information
- Standard SMILES
O=C1C=CC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCCC1=O)N2- InChIKey
TUWBBBXRNALSQT-UHFFFAOYSA-N- Molecular formula
- C18H13BrFNO2
- Average molar mass
- 374.2 g/mol
Names & identifiers
- Preferred name
- 9-(3-bromo-4-fluorophenyl)-5,6,7,9-tetrahydro-1H-cyclopenta[b]quinoline-1,8(4H)-dione
- IUPAC
- 9-(3-bromo-4-fluorophenyl)-5,6,7,9-tetrahydro-4H-cyclopenta[b]quinoline-1,8-dione
Names & synonyms
SCHEMBL6928723TUWBBBXRNALSQT-UHFFFAOYSA-N9-(3-bromo-4-fluorophenyl)-5,6,7,9-tetrahydro-1H-cyclopenta[b]quinoline-1,8(4H)-dione
Database identifiers
- PubChem CID
- 9799693
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 679
Related reactions
1 records
Linked notes
Loading…