N(1H)-7-(BENZOYLAMINO)4-METHYL QUINOLIN-2(1H)-ONE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key KTYHKJLHUSXCSF-UHFFFAOYSA-N
Smiles CC1=CC(=O)Nc2cc(NC(=O)c3ccccc3)ccc12
InChI
InChI=1S/C17H14N2O2/c1-11-9-16(20)19-15-10-13(7-8-14(11)15)18-17(21)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,21)(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H14N2O2
Molecular Weight 278.31
AlogP 2.48
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 58.2
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEMBL CHEMBL2261763
PubChem 49741290
ZINC ZINC49470991
CONTENTS