Basic information
- Standard SMILES
Cc1c(-c2cccc(C#N)c2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21- InChIKey
LMVJJOVGVMALDF-UHFFFAOYSA-N- Molecular formula
- C31H29FN4O
- Average molar mass
- 492.6 g/mol
Names & identifiers
- Preferred name
- 3-(4-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methyl-2-quinolinyl)benzonitrile
- IUPAC
- 3-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-indol-1-yl)-7-fluoro-3-methylquinolin-2-yl]benzonitrile
Names & synonyms
SCHEMBL2126188CHEMBL3698285LMVJJOVGVMALDF-UHFFFAOYSA-NBDBM1246613-(4-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methyl-2-quinolinyl)benzonitrileUS8765940, 3-(4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methyl-2-quinolinyl)benzonitrile
Database identifiers
- PubChem CID
- 67285758
- ChEMBL
CHEMBL3698285
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 851
Related reactions
1 records
Compound notes
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