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

• ChemBase ID: 480163
• Molecular Formular: C19H18N2O2
• Molecular Mass: 306.35842
• Monoisotopic Mass: 306.13682783
• SMILES: c1(n(c2c(c1)cccc2)C)C1c2c(NC(=O)C1)cc(c(c2)C)O
• Canonical SMILES: O=C1Nc2cc(O)c(cc2C(C1)c1cc2c(n1C)cccc2)C
• InChI: InChI=1S/C19H18N2O2/c1-11-7-13-14(9-19(23)20-15(13)10-18(11)22)17-8-12-5-3-4-6-16(12)21(17)2/h3-8,10,14,22H,9H2,1-2H3,(H,20,23)
• InChIKey: JIGPJHQWXBYHRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.534436
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3117435
• LogD (pH = 7.4): 3.3086267
• Log P: 3.3117836
• Molar Refractivity: 91.7893 cm^3
• Polarizability: 35.260235 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.09
• LOG S: -4.08
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 1