General Information of the Compound
Compound ID
CP0191848
Compound Name
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
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Synonyms
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
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Structure
Formula
C16H14N2O2
Molecular Weight
266.3
Canonical SMILES
COc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1
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InChI
InChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)17-15(18-16(13)19)11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19)
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InChIKey
HTLUBFSSIMOABR-UHFFFAOYSA-N
Physicochemical Property
logP
2.90712
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
54.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 135407310
SID: 15766290
ChEMBL ID
CHEMBL127101
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: PT01646, Poly [ADP-ribose] polymerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000266 L1210 Mus musculus (Mouse)  1
1
IC50 = 190 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one )
Drug Name 2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
Target(s)
Poly [ADP-ribose] polymerase 1 (PARP1)
Inhibitor