2-(4-Morpholinyl)-8-Phenyl-4h-1-Benzopyran-4-One

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.

Chromones

Organic compounds

Organoheterocyclic compounds

Benzopyrans

1-benzopyrans

Calculated Property

kind Value Source
logP 3.46 ALOGPS
logS -3.4 ALOGPS
Water Solubility 1.27e-01 g/l ALOGPS
logP 3.41 ChemAxon
IUPAC Name 2-(morpholin-4-yl)-8-phenyl-4H-chromen-4-one ChemAxon
Traditional IUPAC Name 2-(morpholin-4-yl)-8-phenylchromen-4-one ChemAxon
Molecular Weight 307.3432 ChemAxon
Monoisotopic Weight 307.120843415 ChemAxon
SMILES O=C1C=C(OC2=C1C=CC=C2C1=CC=CC=C1)N1CCOCC1 ChemAxon
Molecular Formula C19H17NO3 ChemAxon
InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 ChemAxon
InChIKey InChIKey=CZQHHVNHHHRRDU-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 38.77 ChemAxon
Refractivity 98.5 ChemAxon
Polarizability 32.75 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest acidic) 15.95 ChemAxon
pKa (strongest basic) 3.47 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Serine/threonine-protein kinase pim-1 : in Human
  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform : in Human