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Asimicilone

PubChem CID: 10356576

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Compound Synonyms asimicilone, 7-hydroxy-3,4-dimethoxy-5-methyl-1H-benzo(h)quinolin-2-one, 7-hydroxy-3,4-dimethoxy-5-methyl-1H-benzo[h]quinolin-2-one, CHEMBL477741, 145701-06-0
Topological Polar Surface Area 67.8
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 461.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 7-hydroxy-3,4-dimethoxy-5-methyl-1H-benzo[h]quinolin-2-one
Prediction Hob 1.0
Xlogp 2.5
Molecular Formula C16H15NO4
Prediction Swissadme 0.0
Inchi Key DPSWGUJKRHKXKX-UHFFFAOYSA-N
Fcsp3 0.1875
Logs -3.666
Rotatable Bond Count 2.0
Logd 2.674
Compound Name Asimicilone
Prediction Hob Swissadme 0.0
Exact Mass 285.1
Formal Charge 0.0
Monoisotopic Mass 285.1
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 285.29
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.093287133333333
Inchi InChI=1S/C16H15NO4/c1-8-7-10-9(5-4-6-11(10)18)13-12(8)14(20-2)15(21-3)16(19)17-13/h4-7,18H,1-3H3,(H,17,19)
Smiles CC1=CC2=C(C=CC=C2O)C3=C1C(=C(C(=O)N3)OC)OC
Nring 3.0
Defined Bond Stereocenter Count 0.0