1,2,5,6-Tetrahydro-4h-Pyrrolo(3,2,1-Ij)Quinolin-4-One

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.

Hydroquinolones

Organic compounds

Organoheterocyclic compounds

Quinolines and derivatives

Quinolones and derivatives

Calculated Property

kind Value Source
logP 1.1 ALOGPS
logS -1.2 ALOGPS
Water Solubility 1.13e+01 g/l ALOGPS
logP 1.42 ChemAxon
IUPAC Name 1-azatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),5,7-trien-11-one ChemAxon
Traditional IUPAC Name pyroquilon ChemAxon
Molecular Weight 173.2111 ChemAxon
Monoisotopic Weight 173.084063979 ChemAxon
SMILES O=C1CCC2=CC=CC3=C2N1CC3 ChemAxon
Molecular Formula C11H11NO ChemAxon
InChI InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2 ChemAxon
InChIKey InChIKey=XRJLAOUDSILTFT-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 20.31 ChemAxon
Refractivity 50.61 ChemAxon
Polarizability 18.79 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) -3.5 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