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Acequinoline

CAT: 0931-T23608-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T23608-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
42465-20-3
Target
Others
Related Pathways
Others
Bioactivity
Acequinoline is an analgesic with certain antihistamine properties.
Smiles
CC=1C2=C(N=C(C)C1C(C)=O)C=C(OC)C=C2
Molecular Formula
C14H15NO2
Molecular Weight
229.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Acequinoline

Acequinoline is a small molecule drug. Acequinoline has a monoisotopic molecular weight of 229.11 Da.

CAS Number42465-20-3
PubChem CID170370
IUPAC Name1-(7-methoxy-2,4-dimethylquinolin-3-yl)ethanone
Molecular FormulaC14H15NO2
Molecular Weight229.27
XLogP2.6
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity292
SMILES
CC1=C2C=CC(=CC2=NC(=C1C(=O)C)C)OC
InChI
InChI=1S/C14H15NO2/c1-8-12-6-5-11(17-4)7-13(12)15-9(2)14(8)10(3)16/h5-7H,1-4H3
InChIKey
JKZQRPQTPLGSDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acequinoline
CAS: 42465-20-3
CID: 170370
Formula: C14H15NO2
MW: 229.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.27
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass229.110278721
Monoisotopic Mass229.110278721
Topological Polar Surface Area39.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity292
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

Alternative Products

CatalogName
GTR19200618-01Acequinoline

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