2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Basic information
- CAS
6160-75-4- Standard SMILES
CCc1ccc(N2C(N)=C(C#N)C(c3cc(C)cc(COc4ccc(F)cc4)c3C)C3=C2CC(C)(C)CC3=O)cc1- InChIKey
IWGLKWQGCGKNAS-UHFFFAOYSA-N- Molecular formula
- C35H36FN3O2
- Average molar mass
- 549.7 g/mol
- Monoisotopic mass
- 549.27915556
Names & identifiers
- Preferred name
- 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-1-(4-ethylphenyl)-4-[3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Names & synonyms
6160-75-4DTXSID70411568AKOS0038111692-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Database identifiers
- CAS
6160-75-4- PubChem CID
- 5227916
- DTXSID
DTXSID70411568
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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