7-hydroxy-4-(1H-indol-4-yl)-6-methyl-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 786931
• Molecular Formular: C18H16N2O2
• Molecular Mass: 292.33184
• Monoisotopic Mass: 292.12117776
• SMILES: c12C(c3c4c([nH]cc4)ccc3)CC(=O)Nc1cc(c(c2)C)O
• Canonical SMILES: O=C1Nc2cc(O)c(cc2C(C1)c1cccc2c1cc[nH]2)C
• InChI: InChI=1S/C18H16N2O2/c1-10-7-14-13(8-18(22)20-16(14)9-17(10)21)11-3-2-4-15-12(11)5-6-19-15/h2-7,9,13,19,21H,8H2,1H3,(H,20,22)
• InChIKey: BAUSJDQLFGOYHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydroxy-4-(1H-indol-4-yl)-6-methyl-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 7-hydroxy-4-(1H-indol-4-yl)-6-methyl-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 7-hydroxy-4-(1H-indol-4-yl)-6-methyl-3,4-dihydroquinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.535409
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 3.24602
• LogD (pH = 7.4): 3.2429104
• Log P: 3.24606
• Molar Refractivity: 86.9381 cm^3
• Polarizability: 33.49745 Å^3
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 2.63
• LOG S: -3.58
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 1