3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
Basic information
- CAS
314054-13-2- Standard SMILES
COc1ccc(C(=O)N2CCCc3ccccc32)cc1- InChIKey
ISOIKTAKKIUWNB-UHFFFAOYSA-N- Molecular formula
- C17H17NO2
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.12592879
Names & identifiers
- Preferred name
- 3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
- IUPAC
- 3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone
- English name
- 3,4-Dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
- Molecular formula
- C17H17NO2
- Molecular weight
- 267.32
Names & synonyms
314054-13-23,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone1-(4-methoxybenzoyl)-1,2,3,4-tetrahydroquinoline(3,4-dihydroquinolin-1(2H)-yl)(4-methoxyphenyl)methanone3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanoneMFCD00724920Cambridge id 5358159Oprea1_059449Oprea1_651787MLS000106116CHEMBL1570402HMS1583N01
Show more names
Methanone, (3,4-dihydro-1(2H)-quinolinyl)(4-methoxyphenyl)-
HMS2452C11STK015508AKOS000595226SMR000103086ST010683CS-03236316N-047AB00082830-01
Database identifiers
- CAS
314054-13-2- PubChem CID
- 710667
- ChEMBL
CHEMBL1570402- EC Number
- 169-465-6
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 442.9 · 442.9±45.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- -1.24 · -1.24±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
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Related reactions
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Compound notes
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