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Methyl quinaldate

CAT: 0804-HY-W016141-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W016141-02Size:1 g
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Description
Methyl quinaldate (compound 3c) has antibacterial activity against Mycobacterium tuberculosis H37Rv with a MIC value of 2μg/mL[1].
CAS Number
19575-07-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/methyl-quinaldate.html
Purity
99.94
Solubility
10 mM in DMSO
Smiles
COC(C1=NC2=C(C=C1)C=CC=C2)=O
Molecular Formula
C11H9NO2
Molecular Weight
187.20
Precautions
H302, H315, H319, H335
References & Citations
[1]Vaitilingam B, et al. Synthesis and antimycobacterial activities of ring-substituted quinolinecarboxylic acid/ester analogues. Part 1. Bioorg Med Chem. 2004 Aug 1;12 (15) :4179-88.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Methyl quinoline-2-carboxylate
CAS Number19575-07-6
PubChem CID421738
IUPAC Namemethyl quinoline-2-carboxylate
Molecular FormulaC11H9NO2
Molecular Weight187.19
XLogP1.9
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity217
SMILES
COC(=O)C1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C11H9NO2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3
InChIKey
CILJSZLWPHTUIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl quinoline-2-carboxylate
CAS: 19575-07-6
CID: 421738
Formula: C11H9NO2
MW: 187.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight187.19
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass187.063328530
Monoisotopic Mass187.063328530
Topological Polar Surface Area39.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity217
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