2-(2,3-dihydro-1H-isoindole-2-carbonyl)-5-methoxy-1-methyl-1H-indole

• ChemBase ID: 588996
• Molecular Formular: C19H18N2O2
• Molecular Mass: 306.35842
• Monoisotopic Mass: 306.13682783
• SMILES: c1(n(c2c(c1)cc(cc2)OC)C)C(=O)N1Cc2c(C1)cccc2
• Canonical SMILES: COc1ccc2c(c1)cc(n2C)C(=O)N1Cc2c(C1)cccc2
• InChI: InChI=1S/C19H18N2O2/c1-20-17-8-7-16(23-2)9-15(17)10-18(20)19(22)21-11-13-5-3-4-6-14(13)12-21/h3-10H,11-12H2,1-2H3
• InChIKey: UETHBZFHUHCZTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-isoindole-2-carbonyl)-5-methoxy-1-methyl-1H-indole
• IUPAC Traditional name: 2-(1,3-dihydroisoindole-2-carbonyl)-5-methoxy-1-methylindole
• Synonyms: 2-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)-5-methoxy-1-methyl-1H-indole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8317065
• LogD (pH = 7.4): 2.8317065
• Log P: 2.8317065
• Molar Refractivity: 90.4209 cm^3
• Polarizability: 35.20741 Å^3
• Polar Surface Area: 34.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.69
• LOG S: -2.88
• Polar Surface Area: 34.47 Å^2
• Rotatable Bonds: 2