Basic information
- CAS
22246-17-9- Standard SMILES
COc1ccc2c(c1)NC(=O)CC2- InChIKey
CCIMBZKQVFPGCF-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 7-Methoxy-3,4-dihydroquinolin-2(1H)-one
- IUPAC
- 7-methoxy-3,4-dihydro-1H-quinolin-2-one
- English name
- 7-Methoxy-3,4-dihydro-1H-quinolin-2-one
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
7-Methoxy-3,4-dihydroquinolin-2(1H)-one22246-17-9DTXSID70512544RefChem:310962DTXCID804633517-Methoxy-3,4-dihydro-1H-quinolin-2-one2(1H)-Quinolinone, 3,4-dihydro-7-methoxy-MFCD151442807-methoxy-1,2,3,4-tetrahydroquinolin-2-oneAKOS015999165FS-34983,4-dihydro-7-methoxy-2H-quinolin-2-one
Show more names
BrexpiprazolBrexpiprazole Impurity 69Brexpiprazole Dimer Impurity 13Brexpiprazole Dimer Impurity 697-Methoxy-3,4-dihydroquinolin-2(1H)7-Methoxy-2,3-dihydro-2(1H) quinolinone
CS-00436963,4-dihydro-7-methoxy-2(1H)-quinolinone3,4-dihydro-7-me7-Methoxy-3,4-dihydro-2(1H)-quinolinoneSCHEMBL703728SCHEMBL5546160SCHEMBL297240957-methoxy-3,4-dihydrocarbostyril
Database identifiers
- CAS
22246-17-9- PubChem CID
- 12899418
- DTXSID
DTXSID70512544- Nikkaji
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 145 · 145-147℃
- Boiling point
- 358.3 · 358.3±42.0 °C(Predicted)
- Density
- 1.159 · 1.159
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.37 · 14.37±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
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
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
19 records
Compound notes
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