1-methyl-3-(quinolin-2-yl)-1,4-dihydroquinolin-4-one

• ChemBase ID: 182389
• Molecular Formular: C19H14N2O
• Molecular Mass: 286.32726
• Monoisotopic Mass: 286.11061308
• SMILES: c1(c(=O)c2c(n(c1)C)cccc2)c1nc2c(cc1)cccc2
• Canonical SMILES: Cn1cc(c2ccc3c(n2)cccc3)c(=O)c2c1cccc2
• InChI: InChI=1S/C19H14N2O/c1-21-12-15(19(22)14-7-3-5-9-18(14)21)17-11-10-13-6-2-4-8-16(13)20-17/h2-12H,1H3
• InChIKey: XFINKHUKSVVFEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-(quinolin-2-yl)-1,4-dihydroquinolin-4-one
• IUPAC Traditional name: 1-methyl-3-(quinolin-2-yl)quinolin-4-one

Database IDs

• PubChem SID: 164238299
• PubChem CID: 738745

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9967504
• LogD (pH = 7.4): 3.9974463
• Log P: 3.9974551
• Molar Refractivity: 87.2549 cm^3
• Polarizability: 34.267635 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds