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

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.

Phenylquinolines

Organic compounds

Organoheterocyclic compounds

Quinolines and derivatives

Phenylquinolines

Calculated Property

kind Value Source
logP 5.52 ALOGPS
logS -6.6 ALOGPS
Water Solubility 1.22e-04 g/l ALOGPS
logP 6.28 ChemAxon
IUPAC Name 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-yl)-1,2,3,4-tetrahydroquinolin-2-one ChemAxon
Traditional IUPAC Name 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-yl)-3,4-dihydroquinolin-2-one ChemAxon
Molecular Weight 487.368 ChemAxon
Monoisotopic Weight 486.10772516 ChemAxon
SMILES FC1=CC=C(C(F)=C1)C1=CC(=CC2=C1CCC(=O)N2C1=C(Cl)C=CC=C1Cl)C1CCNCC1 ChemAxon
Molecular Formula C26H22Cl2F2N2O ChemAxon
InChI InChI=1S/C26H22Cl2F2N2O/c27-21-2-1-3-22(28)26(21)32-24-13-16(15-8-10-31-11-9-15)12-20(19(24)6-7-25(32)33)18-5-4-17(29)14-23(18)30/h1-5,12-15,31H,6-11H2 ChemAxon
InChIKey InChIKey=VXIYTVJEIXMAQF-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 32.34 ChemAxon
Refractivity 127.68 ChemAxon
Polarizability 48.3 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 19.58 ChemAxon
pKa (strongest basic) 10.04 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