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1780-17-2

1780-17-2 | 2-Quinolinylmethanol

CAS No: 1780-17-2 Catalog No: AG0025Q2 MDL No:MFCD00086626

Product Description

Catalog Number:
AG0025Q2
Chemical Name:
2-Quinolinylmethanol
CAS Number:
1780-17-2
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00086626
IUPAC Name:
quinolin-2-ylmethanol
InChI:
InChI=1S/C10H9NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-6,12H,7H2
InChI Key:
HREHOXSRYOZKNT-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(n1)cccc2
EC Number:
217-225-7
NSC Number:
6506

Properties

Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Literature

Title Journal
Genome wide adaptations of Plasmodium falciparum in response to lumefantrine selective drug pressure. PloS one 20120101
Conformational study of 9-dehydro-9-trifluoromethyl cinchona alkaloids via 19F NMR spectroscopy: emergence of trifluoromethyl moiety as a conformational stabilizer and a probe. Journal of the American Chemical Society 20110706
Inherently chiral calixarenes: synthesis, optical resolution, chiral recognition and asymmetric catalysis. International journal of molecular sciences 20110101
Screening the MayBridge Rule of 3 Fragment Library for Compounds That Interact with the Trypanosoma brucei myo-Inositol-3-Phosphate Synthase and/or Show Trypanocidal Activity. Molecular biology international 20110101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Effects of anti-malarial drugs on the electrocardiographic QT interval modelled in the isolated perfused guinea pig heart system. Malaria journal 20100101
Mefloquine--an aminoalcohol with promising antischistosomal properties in mice. PLoS neglected tropical diseases 20090101

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