N-(2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL)-3-OXOINDOLINE-2-CARBOXAMIDE

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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 VWLWDHASLRECGB-UHFFFAOYSA-N
Smiles CC1=Nc2ccccc2C(=O)N1NC(=O)C3Nc4ccccc4C3=O
InChI
InChI=1S/C18H14N4O3/c1-10-19-14-9-5-3-7-12(14)18(25)22(10)21-17(24)15-16(23)11-6-2-4-8-13(11)20-15/h2-9,15,20H,1H3,(H,21,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H14N4O3
Molecular Weight 334.33
AlogP 1.3
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 90.87
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Cross References

Resources Reference
ChEMBL CHEMBL2297609
PubChem 71722012
CONTENTS