4-(4-Chloro-2,6-dimethylquinolin-3-yl)butan-2-one
Basic information
- CAS
332150-25-1- Standard SMILES
CC(=O)CCc1c(C)nc2ccc(C)cc2c1Cl- InChIKey
JJTHOZONPXZBEY-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO
- Average molar mass
- 261.74 g/mol
- Monoisotopic mass
- 261.0920418
Names & identifiers
- Preferred name
- 4-(4-Chloro-2,6-dimethylquinolin-3-yl)butan-2-one
- IUPAC
- 4-(4-chloro-2,6-dimethylquinolin-3-yl)butan-2-one
- English name
- CHEMBRDG-BB 5687532
- Molecular formula
- C15H16ClNO
- Molecular weight
- 261.75
Names & synonyms
4-(4-chloro-2,6-dimethylquinolin-3-yl)butan-2-one332150-25-1MFCD004844494-(4-Chloro-2,6-dimethyl-3-quinolinyl)-2-butanone4-(4-chloro-2,6-dimethyl-3-quinolyl)butan-2-oneHMS2652M18MLS000711199CHEMBL1445928DTXSID70353515STK827717AKOS000618446SB70538
Show more names
CHEMBRDG-BB 56875322-Butanone, 4-(4-chloro-2,6-dimethyl-3-quinolinyl)-4-(4-chloro-2,6-dimethylquinolin-3-yl)butan-2-one(SALTDATA: FREE)
BP-11027BS-25232SMR000280966CS-0206711ST50004789AB00093544-01F314491
Database identifiers
- CAS
332150-25-1- PubChem CID
- 744101
- DTXSID
DTXSID70353515- ChEMBL
CHEMBL1445928
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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