3-chloro-N-cyclopentyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-fluoro-1-benzothiophene-2-carboxamide
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Basic information
- CAS
579459-50-0- Standard SMILES
COc1cc2cc(CN(C(=O)c3sc4cc(F)ccc4c3Cl)C3CCCC3)c(=O)[nH]c2cc1OC- InChIKey
XZUBJNHROBLYCH-UHFFFAOYSA-N- Molecular formula
- C26H24ClFN2O4S
- Average molar mass
- 515 g/mol
Names & identifiers
- Preferred name
- 3-chloro-N-cyclopentyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-fluoro-1-benzothiophene-2-carboxamide
- IUPAC
- 3-chloro-N-cyclopentyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-fluoro-1-benzothiophene-2-carboxamide
- English name
- Benzo[b]thiophene-2-carboxamide, 3-chloro-N-cyclopentyl-N-[(1,2-dihydro-6,7-dimethoxy-2-oxo-3-quinolinyl)methyl]-6-fluoro- (9CI)
- Molecular formula
- C26H24ClFN2O4S
- Molecular weight
- 515
Names & synonyms
579459-50-0AKOS000774259DB-274391BENZO[B]THIOPHENE-2-CARBOXAMIDE, 3-CHLORO-N-CYCLOPENTYL-N-[(1,2-DIHYDRO-6,7-DIMETHOXY-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-Benzo[b]thiophene-2-carboxamide, 3-chloro-N-cyclopentyl-N-[(1,2-dihydro-6,7-dimethoxy-2-oxo-3-quinolinyl)methyl]-6-fluoro- (9CI)
Database identifiers
- CAS
579459-50-0
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 840
Physicochemical properties
- Boiling point
- 732.8 · 732.8±60.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 9.99 · 9.99±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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