General Information of the Compound
Compound ID
CP0133768
Compound Name
8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one
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Structure
Formula
C15H12N2O2
Molecular Weight
252.273
Canonical SMILES
Cc1ccc(cc1)-c1nc2c(O)cccc2c(=O)[nH]1
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InChI
InChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)14-16-13-11(15(19)17-14)3-2-4-12(13)18/h2-8,18H,1H3,(H,16,17,19)
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InChIKey
MCCQXQRJNJXHRG-UHFFFAOYSA-N
Physicochemical Property
logP
2.60412
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
65.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 135566973
ChEMBL ID
CHEMBL3827272
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01425, Poly [ADP-ribose] polymerase tankyrase-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 44 nM
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