2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.

Quinoxalines

Organic compounds

Organoheterocyclic compounds

Naphthyridines

Quinoxalines

Calculated Property

kind Value Source
logP 2.69 ALOGPS
logS -4.4 ALOGPS
Water Solubility 1.19e-02 g/l ALOGPS
logP 2.79 ChemAxon
IUPAC Name 3-(4-chlorophenyl)quinoxaline-5-carboxamide ChemAxon
Traditional IUPAC Name C15H10clN3O ChemAxon
Molecular Weight 283.712 ChemAxon
Monoisotopic Weight 283.051239664 ChemAxon
SMILES NC(=O)C1=CC=CC2=NC=C(N=C12)C1=CC=C(Cl)C=C1 ChemAxon
Molecular Formula C15H10ClN3O ChemAxon
InChI InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20) ChemAxon
InChIKey InChIKey=FLYGLPYJEQPCFY-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 68.87 ChemAxon
Refractivity 76.1 ChemAxon
Polarizability 28.69 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 14.1 ChemAxon
pKa (strongest basic) 0.22 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Poly [ADP-ribose] polymerase 1 : in Human