Basic information
- Standard SMILES
CN1C(=O)CC[C@]2(C)c3ccc(-c4ccc(O)c(Cl)c4)cc3CC[C@@H]12- InChIKey
UTDYZJKKWGIUQY-TZIWHRDSSA-N- Molecular formula
- C21H22ClNO2
- Average molar mass
- 355.9 g/mol
Names & identifiers
- Preferred name
- (+)-(4aR)-(10bR)-4-methyl-8-(3-chloro-4-hydroxyphenyl)-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one
- IUPAC
- (4aR,10bR)-8-(3-chloro-4-hydroxyphenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
Names & synonyms
SCHEMBL7471016UTDYZJKKWGIUQY-TZIWHRDSSA-N(+)-(4aR)-(10bR)-4-methyl-8-(3-chloro-4-hydroxyphenyl)-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one
Database identifiers
- PubChem CID
- 54370971
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 526
Related reactions
5 records
Compound notes
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