N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-6-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 541075
• Molecular Formular: C21H23N3O3
• Molecular Mass: 365.42562
• Monoisotopic Mass: 365.17394161
• SMILES: c12C(C(=O)NCCN3c4c(CC3)cccc4)CC(=O)Nc1ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)C(CC(=O)N2)C(=O)NCCN1CCc2c1cccc2
• InChI: InChI=1S/C21H23N3O3/c1-27-15-6-7-18-16(12-15)17(13-20(25)23-18)21(26)22-9-11-24-10-8-14-4-2-3-5-19(14)24/h2-7,12,17H,8-11,13H2,1H3,(H,22,26)(H,23,25)
• InChIKey: RGOXNPLZXHRXHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-6-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-6-methoxy-2-oxo-1,2,3,4-tetrahydro-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.195091
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9407429
• LogD (pH = 7.4): 1.9479856
• Log P: 1.9480788
• Molar Refractivity: 105.4351 cm^3
• Polarizability: 39.181416 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.62
• LOG S: -3.25
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5