4(1H)-Pyridazinone, 6-methyl-3-(2-quinolinylmethoxy)-1-(3-(trifluoromethyl)phenyl)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
146824-84-2- Standard SMILES
Cc1cc(=O)c(OCc2ccc3ccccc3n2)nn1-c1cccc(C(F)(F)F)c1- InChIKey
MEDBYYVLGPWKFQ-UHFFFAOYSA-N- Molecular formula
- C22H16F3N3O2
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.11946125
Names & identifiers
- Preferred name
- 4(1H)-Pyridazinone, 6-methyl-3-(2-quinolinylmethoxy)-1-(3-(trifluoromethyl)phenyl)-
- IUPAC
- 6-methyl-3-(quinolin-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
- English name
- 4(1H)-Pyridazinone, 6-methyl-3-(2-quinolinylmethoxy)-1-(3-(trifluorome thyl)phenyl)-
- Molecular formula
- C22H16F3N3O2
- Molecular weight
- 411.38
Names & synonyms
146824-84-24(1H)-Pyridazinone, 6-methyl-3-(2-quinolinylmethoxy)-1-(3-(trifluoromethyl)phenyl)-6-Methyl-3-(2-quinolinylmethoxy)-1-(3-(trifluoromethyl)phenyl)-4(1H)-pyridazinonem-Trifluoromethyl phenyl-1 dihydro-1,4 oxo-4 (quinolyl-2 methoxy)-3 methyl-6 pyridazineDTXSID90163512RefChem:283502DTXCID50860036-methyl-3-(quinolin-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one4(1H)-Pyridazinone, 6-methyl-3-(2-quinolinylmethoxy)-1-(3-(trifluorome thyl)phenyl)-SCHEMBL9595265DA-101306-Methyl-3-[(quinolin-2-yl)methoxy]-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one
Show more names
6-methyl-3-(quinolin-2-ylmethoxy)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one
Database identifiers
- CAS
146824-84-2- PubChem CID
- 3073154
- DTXSID
DTXSID90163512
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 706
Physicochemical properties
- Boiling point
- 518.3 · 518.3±60.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 3.53 · 3.53±0.48(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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