2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one
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Basic information
- CAS
37126-99-1- Standard SMILES
CC(=O)CCc1c(C)[nH]c2ccccc2c1=O- InChIKey
JJTBQQQQMUTHSW-UHFFFAOYSA-N- Molecular formula
- C14H15NO2
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.11027872
Names & identifiers
- Preferred name
- 2-Methyl-3-(3-oxobutyl)quinolin-4(1H)-one
- IUPAC
- 2-methyl-3-(3-oxobutyl)-1H-quinolin-4-one
- English name
- 4-(4-HYDROXY-2-METHYL-QUINOLIN-3-YL)-BUTAN-2-ONE
- Molecular formula
- C14H15NO2
- Molecular weight
- 229.27
Names & synonyms
37126-99-12-methyl-3-(3-oxobutyl)quinolin-4(1h)-oneDTXSID50355052RefChem:263230DTXCID203061124-(4-Hydroxy-2-methylquinolin-3-yl)butan-2-one2-methyl-3-(3-oxobutyl)-1H-quinolin-4-oneMFCD01143176MLS000107918SMR0001038824-(4-HYDROXY-2-METHYL-3-QUINOLINYL)-2-BUTANONE2-Butanone,4-(4-hydroxy-2-methyl-3-quinolinyl)-
Show more names
2-Methyl-3-(3-oxo-butyl)-1H-quinolin-4-one2-Butanone, 4-(4-hydroxy-2-methyl-3-quinolinyl)-4-(4-hydroxy-2-methylquinolin-3-yl)butan-2-one(SALTDATA: FREE)
CBKinase1_000630CBKinase1_013030cid_790307CHEMBL1468038SCHEMBL26598060BDBM32134HMS2481K23STL511364
Database identifiers
- CAS
37126-99-1- PubChem CID
- 790307
- DTXSID
DTXSID50355052- ChEMBL
CHEMBL1468038
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 395.8 · 395.8±37.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- pka
- 4.22 · 4.22±0.50(Predicted)
- 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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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