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8-Methoxy-9-methylfuro[2,3-b]quinolin-4(9H)-one

PubChem CID: 927945

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Compound Synonyms gamma-Isofagarine, 8-Methoxy-9-methylfuro[2,3-b]quinolin-4(9H)-one, 569-02-8, Iso-gamma-fagarine, C13H11NO3, Oprea1_319064, MLS001048951, CHEMBL447997, DTXSID901346496, HMS2270C15, HY-N12040, AKOS030488635, NCGC00160208-01, DA-79201, SMR000386975, CS-0890966, AG-690/36644035
Topological Polar Surface Area 42.7
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 320.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id B2RXH2, P00352, P15428, P83916, O89049, O75496, P43220, Q9NUW8
Iupac Name 8-methoxy-9-methylfuro[2,3-b]quinolin-4-one
Prediction Hob 1.0
Target Id NPT48, NPT94, NPT151
Xlogp 2.5
Molecular Formula C13H11NO3
Prediction Swissadme 0.0
Inchi Key VNBUMBNLPGLBML-UHFFFAOYSA-N
Fcsp3 0.1538461538461538
Logs -3.795
Rotatable Bond Count 1.0
Logd 2.309
Compound Name 8-Methoxy-9-methylfuro[2,3-b]quinolin-4(9H)-one
Prediction Hob Swissadme 0.0
Exact Mass 229.074
Formal Charge 0.0
Monoisotopic Mass 229.074
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 229.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.9787393529411763
Inchi InChI=1S/C13H11NO3/c1-14-11-8(4-3-5-10(11)16-2)12(15)9-6-7-17-13(9)14/h3-7H,1-2H3
Smiles CN1C2=C(C=CC=C2OC)C(=O)C3=C1OC=C3
Nring 3.0
Defined Bond Stereocenter Count 0.0