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4-Methoxy-1-methylquinolin-2-one

PubChem CID: 182073

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Compound Synonyms 4-methoxy-1-methylquinolin-2-one, 32262-18-3, 4-methoxy-1-methyl-2(1H)-quinolinone, N-Methyl-4-methoxycarbostyril, 2(1H)-Quinolinone, 4-methoxy-1-methyl-, 4-Methoxy-1-methyl-2-quinolone, MLS000532185, SMR000137126, 4-Methoxy-1-methylquinolin-2-one, 4-Methoxy-N-methyl-2-quinolone, N-Methyl-4-methoxy-2-quinolone, 4-methoxy-n-methyl-2-quinolone, Opera_ID_952, Cambridge id 5192550, Oprea1_633116, CHEMBL402069, SCHEMBL11379787, DTXSID80186013, 4-Methoxyl-1-methyl-2-quinolone, CHEBI:229016, SPBLFONLHXBBQE-UHFFFAOYSA-N, 4-Methoxy-N-Methyl-quinol-2-one, Carbostyril, 4-methoxy-1-methyl-, HMS2473B12, 4-methoxy-1-methyl-quinolin-2-one, HBA26218, AKOS006281157, FS-9480, 4-methoxy-1-methylquinolin-2(1H)-one, NCGC00245725-01, DB-332412, CS-0017863
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCC2CCCCC2C1
Np Classifier Class Quinoline alkaloids
Deep Smiles COccc=O)ncc6cccc6))))))C
Heavy Atom Count 14.0
Classyfire Class Quinolines and derivatives
Scaffold Graph Node Level OC1CCC2CCCCC2N1
Classyfire Subclass Quinolones and derivatives
Isotope Atom Count 0.0
Molecular Complexity 272.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a., P51450, Q9UNA4, P01215, O94782
Iupac Name 4-methoxy-1-methylquinolin-2-one
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 1.2
Gsk 4 400 Rule True
Molecular Formula C11H11NO2
Scaffold Graph Node Bond Level O=c1ccc2ccccc2[nH]1
Prediction Swissadme 0.0
Inchi Key SPBLFONLHXBBQE-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.1818181818181818
Logs -1.61
Rotatable Bond Count 1.0
Logd 1.703
Synonyms 4-methoxy-1-methyl-2-quinolone
Esol Class Soluble
Functional Groups c=O, cOC, cn(c)C
Compound Name 4-Methoxy-1-methylquinolin-2-one
Prediction Hob Swissadme 0.0
Exact Mass 189.079
Formal Charge 0.0
Monoisotopic Mass 189.079
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 189.21
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.252298228571429
Inchi InChI=1S/C11H11NO2/c1-12-9-6-4-3-5-8(9)10(14-2)7-11(12)13/h3-7H,1-2H3
Smiles CN1C2=CC=CC=C2C(=CC1=O)OC
Nring 2.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Tryptophan alkaloids, Anthranilic acid alkaloids