Basic information
- CAS
10446-90-9- Standard SMILES
CC1=CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21- InChIKey
HGFQHAILCXWLNH-UHFFFAOYSA-N- Molecular formula
- C19H19NO
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.14666423
Names & identifiers
- Preferred name
- Quinoline, 1-benzoyl-1,2-dihydro-2,2,4-trimethyl-
- IUPAC
- phenyl-(2,2,4-trimethylquinolin-1-yl)methanone
Names & synonyms
10446-90-9Quinoline, 1-benzoyl-1,2-dihydro-2,2,4-trimethyl-DTXSID90351351RefChem:378492DTXCID20302417phenyl(2,2,4-trimethylquinolin-1(2H)-yl)methanone1-benzoyl-2,2,4-trimethyl-1,2-dihydroquinolinephenyl-(2,2,4-trimethylquinolin-1-yl)methanoneCBMicro_048060MLS000105687CHEMBL1574849SCHEMBL13925444
Show more names
HMS1613I14HMS2417F11HMS3429G02STK014308AKOS001666074SMR000102665BIM-0048092.P001SR-01000493182
Database identifiers
- CAS
10446-90-9- PubChem CID
- 698302
- DTXSID
DTXSID90351351- ChEMBL
CHEMBL1574849
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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