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1-Methyl-2-phenyl-4(1H)-quinolinone

PubChem CID: 776143

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Compound Synonyms 1-Methyl-2-phenyl-4(1H)-quinolinone, 1-methyl-2-phenylquinolin-4-one, 17182-60-4, 1-methyl-2-phenylquinolin-4(1h)-one, 4(1H)-Quinolinone, 1-methyl-2-phenyl-, CHEMBL277048, MLS000106879, 1-Methyl-2-phenyl-1H-quinolin-4-one, Cambridge id 5471783, Oprea1_072190, Oprea1_817692, SCHEMBL9386193, AFKNCQDBTBDPOQ-UHFFFAOYSA-, DTXSID50169171, N-methyl-2-phenylquinolin-4-one, HMS2503K09, BDBM50044965, STL443728, AKOS021643824, CCG-202819, SMR000111255, AB00086152-01, AG-690/36831010, InChI=1/C16H13NO/c1-17-14-10-6-5-9-13(14)16(18)11-15(17)12-7-3-2-4-8-12/h2-11H,1H3
Topological Polar Surface Area 20.3
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 354.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P02550, Q6B856, P15428, Q9UNA4, Q99700, P63092, Q77YF9
Iupac Name 1-methyl-2-phenylquinolin-4-one
Prediction Hob 1.0
Target Id NPT151
Xlogp 3.3
Molecular Formula C16H13NO
Prediction Swissadme 0.0
Inchi Key AFKNCQDBTBDPOQ-UHFFFAOYSA-N
Fcsp3 0.0625
Logs -4.125
Rotatable Bond Count 1.0
Logd 3.131
Compound Name 1-Methyl-2-phenyl-4(1H)-quinolinone
Prediction Hob Swissadme 0.0
Exact Mass 235.1
Formal Charge 0.0
Monoisotopic Mass 235.1
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 235.28
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.712950977777778
Inchi InChI=1S/C16H13NO/c1-17-14-10-6-5-9-13(14)16(18)11-15(17)12-7-3-2-4-8-12/h2-11H,1H3
Smiles CN1C2=CC=CC=C2C(=O)C=C1C3=CC=CC=C3
Nring 3.0
Defined Bond Stereocenter Count 0.0