N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-3-methoxy-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 735681
• Molecular Formular: C27H33N3O5
• Molecular Mass: 479.56802
• Monoisotopic Mass: 479.24202117
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N(C)C)CN(C(=O)c1cc(OC)ccc1)CC1OCCC1
• Canonical SMILES: COc1cccc(c1)C(=O)N(Cc1cc2c(OC)ccc(c2nc1N(C)C)OC)CC1CCCO1
• InChI: InChI=1S/C27H33N3O5/c1-29(2)26-19(15-22-23(33-4)11-12-24(34-5)25(22)28-26)16-30(17-21-10-7-13-35-21)27(31)18-8-6-9-20(14-18)32-3/h6,8-9,11-12,14-15,21H,7,10,13,16-17H2,1-5H3
• InChIKey: UFNDONZPFUISDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: N-{[2-(dimethylamino)-5,8-dimethoxy-3-quinolinyl]methyl}-3-methoxy-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 3.77375
• LogD (pH = 7.4): 3.8010824
• Log P: 3.8014426
• Molar Refractivity: 135.8501 cm^3
• Polarizability: 52.751 Å^3
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 5.32
• LOG S: -5.08
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 5