[2-METHYL-3-(2-METHYLPHENYL)-4(3H)-QUINAZOLINON-8-YLOXY]ACETOHYDRAZIDE

/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 XVFPPZNQIGXCJQ-UHFFFAOYSA-N
Smiles CC1=Nc2c(OCC(=O)NN)cccc2C(=O)N1c3ccccc3C
InChI
InChI=1S/C18H18N4O3/c1-11-6-3-4-8-14(11)22-12(2)20-17-13(18(22)24)7-5-9-15(17)25-10-16(23)21-19/h3-9H,10,19H2,1-2H3,(H,21,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18N4O3
Molecular Weight 338.36
AlogP 1.44
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 97.02
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Cross References

Resources Reference
ChEMBL CHEMBL1934653
PubChem 53344638
CONTENTS