5-Fluoro PB-22 5-hydroxyisoquinoline isomer
Basic information
- CAS
2365471-16-3- Standard SMILES
O=C(Oc1cccc2cnccc12)c1cn(CCCCCF)c2ccccc12- InChIKey
VDXHSBSNZLWZEP-UHFFFAOYSA-N- Molecular formula
- C23H21FN2O2
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.15870608
Names & identifiers
- Preferred name
- 5-Fluoro PB-22 5-hydroxyisoquinoline isomer
- IUPAC
- isoquinolin-5-yl 1-(5-fluoropentyl)indole-3-carboxylate
- English name
- 5-fluoro PB-22 5-hydroxyisoquinoline isomer
- Molecular formula
- C23H21FN2O2
- Molecular weight
- 376.4234432
Names & synonyms
2365471-16-35-Fluoro PB-22 5-hydroxyisoquinoline isomerDTXSID4013451985-Fluoro-PB-22 5-hydroxyisoquinolinePD019159HY-1720475-isoquinolyl 1-(5-fluoropentyl)indole-3-carboxylateisoquinolin-5-yl1-(5-fluoropentyl)-1H-indole-3-carboxylate
Database identifiers
- CAS
2365471-16-3- PubChem CID
- 124518902
- DTXSID
DTXSID401345198- Nikkaji
- J3.625.052F
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 517
Physicochemical properties
- solubility
- 11 mg/mlDMF: · DMF: 11 mg/mlDMF: PBS (pH 7.2) (1:2): 0.33 mg/mlDMSO: 10 mg/ml
Chemistry & industry
Applications
Uses5-Fluoro PB-22 5-hydroxyisoquinoline isomer is a structural isomer of 5-Fluoro PB-22.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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