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

Details

• Internal ID: 6ed46274-9961-4793-a84d-d106990003be
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines
• IUPAC Name: 1-methyl-2-phenylquinolin-4-one
• SMILES (Canonical): CN1C2=CC=CC=C2C(=O)C=C1C3=CC=CC=C3
• SMILES (Isomeric): CN1C2=CC=CC=C2C(=O)C=C1C3=CC=CC=C3
• 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
• InChI Key: AFKNCQDBTBDPOQ-UHFFFAOYSA-N
• Popularity: 30 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₃NO
• Molecular Weight: 235.28 g/mol
• Exact Mass: 235.099714038 g/mol
• Topological Polar Surface Area (TPSA): 20.30 Ų
• XlogP: 3.30

Synonyms

• 1-methyl-2-phenylquinolin-4(1h)-one
• 1-methyl-2-phenylquinolin-4-one
• 17182-60-4
• 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

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	25118.9 nM	Potency	via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.68%	95.56%
CHEMBL2581	P07339	Cathepsin D	97.51%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.54%	86.33%
CHEMBL3192	Q9BY41	Histone deacetylase 8	88.93%	93.99%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.67%	89.00%
CHEMBL1899	P46098	Serotonin 3a (5-HT3a) receptor	86.93%	100.00%
CHEMBL2095172	P14867	GABA-A receptor; alpha-1/beta-2/gamma-2	83.90%	92.67%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.85%	85.14%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	81.93%	92.08%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.83%	96.09%
CHEMBL5805	Q9NR97	Toll-like receptor 8	80.14%	96.25%

Plants that contains it

• Alpinia officinarum
• Balfourodendron riedelianum
• Casimiroa edulis
• Conchocarpus inopinatus
• Espeletiopsis purpurascens
• Haplophyllum griffithianum
• Helianthus californicus
• Hornstedtia reticulata
• Imperata cylindrica
• Persicaria tinctoria
• Phlebodium aureum
• Plectranthus hereroensis
• Pycnarrhena novoguineensis
• Spiraea prunifolia
• Spiranthera odoratissima
• Ursinia anthemoides
• Vernonia chloropappa

Cross-Links

• PubChem: 776143
• NPASS: NPC257490
• ChEMBL: CHEMBL277048
• LOTUS: LTS0219286
• wikiData: Q83038824