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4-Methoxy-1-methylquinolin-2-one

CAT: 0013-GTR19182453Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182453Size:5 mg
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Description
4-Methoxy-1-methylquinolin-2-one is a bioactive alkaloid isolated from Zanthoxylum nitidum. It serves as a research chemical for in vitro pharmacological studies, particularly in investigations of anti-inflammatory and analgesic mechanisms.
CAS Number
32262-18-3
Smiles
COC1=CC (=O) N (C) C2=C1C=CC=C2
Molecular Formula
C11H11NO2
Molecular Weight
189.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-methoxy-N-methyl-2-quinolone

4-Methoxyl-1-methyl-2-quinolone is a member of quinolines.

CAS Number32262-18-3
PubChem CID182073
IUPAC Name4-methoxy-1-methylquinolin-2-one
Molecular FormulaC11H11NO2
Molecular Weight189.21
XLogP1.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity272
SMILES
CN1C2=CC=CC=C2C(=CC1=O)OC
InChI
InChI=1S/C11H11NO2/c1-12-9-6-4-3-5-8(9)10(14-2)7-11(12)13/h3-7H,1-2H3
InChIKey
SPBLFONLHXBBQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-methoxy-N-methyl-2-quinolone
CAS: 32262-18-3
CID: 182073
Formula: C11H11NO2
MW: 189.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight189.21
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass189.078978594
Monoisotopic Mass189.078978594
Topological Polar Surface Area29.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity272
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes