N-{[7-methoxy-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}-2-methyl-N-(oxolan-2-ylmethyl)propanamide

• ChemBase ID: 353718
• Molecular Formular: C24H33N3O3
• Molecular Mass: 411.53712
• Monoisotopic Mass: 411.25219193
• SMILES: c1(c(CN(C(=O)C(C)C)CC2OCCC2)cc2c(n1)cc(cc2)OC)N1CCCC1
• Canonical SMILES: COc1ccc2c(c1)nc(c(c2)CN(C(=O)C(C)C)CC1CCCO1)N1CCCC1
• InChI: InChI=1S/C24H33N3O3/c1-17(2)24(28)27(16-21-7-6-12-30-21)15-19-13-18-8-9-20(29-3)14-22(18)25-23(19)26-10-4-5-11-26/h8-9,13-14,17,21H,4-7,10-12,15-16H2,1-3H3
• InChIKey: WSMDYZIFBWUTIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-methoxy-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}-2-methyl-N-(oxolan-2-ylmethyl)propanamide
• IUPAC Traditional name: N-{[7-methoxy-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}-2-methyl-N-(oxolan-2-ylmethyl)propanamide
• Synonyms: N-{[7-methoxy-2-(1-pyrrolidinyl)-3-quinolinyl]methyl}-2-methyl-N-(tetrahydro-2-furanylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.4025488
• LogD (pH = 7.4): 3.8995094
• Log P: 3.9119303
• Molar Refractivity: 118.9956 cm^3
• Polarizability: 46.81478 Å^3
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.64
• LOG S: -3.65
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 5