1-Methyl-2-quinolone

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.

Hydroquinolones

Organic compounds

Organoheterocyclic compounds

Quinolines and derivatives

Quinolones and derivatives

Calculated Property

kind Value Source
logP 1.36 ALOGPS
logS -1.1 ALOGPS
Water Solubility 1.21e+01 g/l ALOGPS
logP 1.46 ChemAxon
IUPAC Name 1-methyl-1,2-dihydroquinolin-2-one ChemAxon
Traditional IUPAC Name 1-methyl-2-quinolone ChemAxon
Molecular Weight 159.1846 ChemAxon
Monoisotopic Weight 159.068413915 ChemAxon
SMILES CN1C(=O)C=CC2=CC=CC=C12 ChemAxon
Molecular Formula C10H9NO ChemAxon
InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3 ChemAxon
InChIKey InChIKey=QYEMNJMSULGQRD-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 20.31 ChemAxon
Refractivity 48.4 ChemAxon
Polarizability 16.83 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) -1.6 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Putative uncharacterized protein : in Trypanosoma brucei brucei (strain 927/4 GUTat10.1)