11-(2-chlorophenyl)-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one
Basic information
- CAS
339012-03-2- Standard SMILES
O=C1c2cnn(-c3ccccc3Cl)c2CC2c3ccccc3CCN12- InChIKey
SQYVBPINFZKIQS-UHFFFAOYSA-N- Molecular formula
- C20H16ClN3O
- Average molar mass
- 349.8 g/mol
Names & identifiers
- Preferred name
- 11-(2-chlorophenyl)-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one
- IUPAC
- 15-(2-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one
- English name
- 11-(2-Chlorophenyl)-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one
- Molecular formula
- C20H16ClN3O
- Molecular weight
- 349.81
Names & synonyms
339012-03-211-(2-chlorophenyl)-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one15-(2-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-2,4,6,12(16),13-pentaen-11-one15-(2-chlorophenyl)-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-oneBionet1_001293Oprea1_402392HMS571M15AKOS0050977687H-030Benzo[a]pyrazolo[4,3-g]quinolizin-8(6H)-one, 11-(2-chlorophenyl)-5,11,12,12a-tetrahydro-
Database identifiers
- CAS
339012-03-2
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Boiling point
- 558.9 · 558.9±50.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- -1.31 · -1.31±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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