1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.

N-arylpiperazines

Organic compounds

Organoheterocyclic compounds

Diazinanes

Piperazines

Calculated Property

kind Value Source
logP 3.93 ALOGPS
logS -4.9 ALOGPS
Water Solubility 5.92e-03 g/l ALOGPS
logP 5.09 ChemAxon
IUPAC Name 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperazin-1-yl)-1,2,3,4-tetrahydroquinazolin-2-one ChemAxon
Traditional IUPAC Name 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperazin-1-yl)-3,4-dihydroquinazolin-2-one ChemAxon
Molecular Weight 489.345 ChemAxon
Monoisotopic Weight 488.098223106 ChemAxon
SMILES FC1=CC=C(C(F)=C1)C1=C2CNC(=O)N(C2=CC(=C1)N1CCNCC1)C1=C(Cl)C=CC=C1Cl ChemAxon
Molecular Formula C24H20Cl2F2N4O ChemAxon
InChI InChI=1S/C24H20Cl2F2N4O/c25-19-2-1-3-20(26)23(19)32-22-12-15(31-8-6-29-7-9-31)11-17(18(22)13-30-24(32)33)16-5-4-14(27)10-21(16)28/h1-5,10-12,29H,6-9,13H2,(H,30,33) ChemAxon
InChIKey InChIKey=YAWZIQKDHQIHOS-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 47.61 ChemAxon
Refractivity 126.31 ChemAxon
Polarizability 47.25 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 15.38 ChemAxon
pKa (strongest basic) 8.86 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 5 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Mitogen-activated protein kinase 14 : in Human