1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
Basic information
- CAS
349474-29-9- Standard SMILES
Cc1cccc(OCC(=O)N2CCCc3ccccc32)c1- InChIKey
KNSBKQZVZJPCGH-UHFFFAOYSA-N- Molecular formula
- C18H19NO2
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.14157885
Names & identifiers
- Preferred name
- 1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
- IUPAC
- 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone
- English name
- 1-[(3-methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
- Molecular formula
- C18H19NO2
- Molecular weight
- 281.35
Names & synonyms
1-[(3-methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline349474-29-91-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone1-(3,4-Dihydroquinolin-1(2H)-yl)-2-(3-methylphenoxy)ethan-1-oneChemDiv3_005399Oprea1_109422Oprea1_732025MLS000708414CHEMBL1608216DTXSID701321800HMS1488F09HMS2735D24
Show more names
Ethanone, 1-(3,4-dihydro-1(2H)-quinolinyl)-2-(3-methylphenoxy)-
STK007944AKOS000489728IDI1_023309SMR000287881ST040885EU-0016306AN-329/15333051BRD-K47332349-001-01-5
Database identifiers
- CAS
349474-29-9- PubChem CID
- 668306
- DTXSID
DTXSID701321800- ChEMBL
CHEMBL1608216
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
Solubility30.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 512.8 · 512.8±43.0 °C(Predicted)
- Density
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- pka
- 1.03 · 1.03±0.20(Predicted)
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Compound notes
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