6-Fluoro-5-(3-hydroxy-propoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one
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Basic information
- Standard SMILES
O=C1Nc2ccc(F)c3c(OCCCO)cc(-c4ccc[nH]4)c1c23- InChIKey
DYRKHLOFLBMAGH-UHFFFAOYSA-N- Molecular formula
- C18H15FN2O3
- Average molar mass
- 326.3 g/mol
Names & identifiers
- Preferred name
- 6-Fluoro-5-(3-hydroxy-propoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one
- IUPAC
- 6-fluoro-5-(3-hydroxypropoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one
Names & synonyms
CHEMBL79364SCHEMBL6590368BDBM10119DYRKHLOFLBMAGH-UHFFFAOYSA-N6-Fluoro-5-(3-hydroxy-propoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one9-fluoro-7-(3-hydroxypropoxy)-5-(1H-pyrrol-2-yl)-2-azatricyclo[6.3.1.0;{4,12}]dodeca-1(11),4,6,8(12),9-pentaen-3-one
Database identifiers
- PubChem CID
- 9858505
- ChEMBL
CHEMBL79364- Nikkaji
- J1.883.230E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 477
Related reactions
2 records
Compound notes
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