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Chemical structure of 8-Chloroquinazolin-4-ol

GC75150

8-Chloroquinazolin-4-ol

Also known as 8-chloro-3H-quinazolin-4-one

8-Chloroquinazolin-4-ol (Compd 18) is a PARP-1 enzyme inhibitor, with an IC50 of 5·65 μM

ChemicalCAS101494-95-5MW180.59FormulaC8H5ClN2O
CAS number
101494-95-5
Molecular weight
180.59
Formula
C8H5ClN2O
Solubility
DMSO: 5 mg/mL (27·69 mM; ultrasonic and warming and heat to 60°C)
InChIKey
JWLJDRWZFALRKE-UHFFFAOYSA-N
Catalogue number
GC75150
Brand
GLPBIO
Computed properties PubChem CID 135412869 · XLogP 1.3 · TPSA 41.5 Ų · H-bond donors 1
XLogP
1.3
TPSA
41.5 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

SMILES C1=CC2=C(C(=C1)Cl)N=CNC2=O

Computed descriptors from PubChem (CID 135412869), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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