N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as pyrrolocarbazoles. These are compounds containing a pyrrolocarbazole moiety, which is a tetracyclic heterocycle which consists of a pyrrole ring fused to a carbazole.

Pyrrolocarbazoles

Organic compounds

Organoheterocyclic compounds

Indoles and derivatives

Carbazoles

Calculated Property

kind Value Source
logP 3.52 ALOGPS
logS -4.8 ALOGPS
Water Solubility 6.65e-03 g/l ALOGPS
logP 3.25 ChemAxon
IUPAC Name N-[4-(2-chlorophenyl)-1,3-dioxo-1H,2H,3H,6H-pyrrolo[3,4-c]carbazol-9-yl]formamide ChemAxon
Traditional IUPAC Name N-[4-(2-chlorophenyl)-1,3-dioxo-2H,6H-pyrrolo[3,4-c]carbazol-9-yl]formamide ChemAxon
Molecular Weight 389.791 ChemAxon
Monoisotopic Weight 389.056718972 ChemAxon
SMILES ClC1=CC=CC=C1C1=CC2=C(C3=C(N2)C=CC(NC=O)=C3)C2=C1C(=O)NC2=O ChemAxon
Molecular Formula C21H12ClN3O3 ChemAxon
InChI InChI=1S/C21H12ClN3O3/c22-14-4-2-1-3-11(14)12-8-16-17(19-18(12)20(27)25-21(19)28)13-7-10(23-9-26)5-6-15(13)24-16/h1-9,24H,(H,23,26)(H,25,27,28) ChemAxon
InChIKey InChIKey=JWZVNUNTFNELHL-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 91.06 ChemAxon
Refractivity 107.04 ChemAxon
Polarizability 39.27 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 8.11 ChemAxon
pKa (strongest basic) -4.5 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 5 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Wee1-like protein kinase : in Human