N-(7-methoxyquinolin-3-yl)-2-(1-methyl-1H-indol-3-yl)acetamide

• ChemBase ID: 226123
• Molecular Formular: C21H19N3O2
• Molecular Mass: 345.39446
• Monoisotopic Mass: 345.14772686
• SMILES: c1(cn(c2c1cccc2)C)CC(=O)Nc1cc2c(nc1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)ncc(c2)NC(=O)Cc1cn(c2c1cccc2)C
• InChI: InChI=1S/C21H19N3O2/c1-24-13-15(18-5-3-4-6-20(18)24)10-21(25)23-16-9-14-7-8-17(26-2)11-19(14)22-12-16/h3-9,11-13H,10H2,1-2H3,(H,23,25)
• InChIKey: LLJBKOIRKYEBQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(7-methoxyquinolin-3-yl)-2-(1-methyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-(7-methoxyquinolin-3-yl)-2-(1-methylindol-3-yl)acetamide

Database IDs

• PubChem SID: 164282033
• PubChem CID: 71692096

CALCULATED PROPERTIES

• Acid pKa: 12.840507
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3552659
• LogD (pH = 7.4): 3.3675568
• Log P: 3.3677175
• Molar Refractivity: 102.0106 cm^3
• Polarizability: 40.958443 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds