N-methyl-N-[(5-{[methyl(quinolin-5-ylmethyl)amino]methyl}furan-2-yl)methyl]methanesulfonamide

• ChemBase ID: 350059
• Molecular Formular: C19H23N3O3S
• Molecular Mass: 373.46922
• Monoisotopic Mass: 373.14601261
• SMILES: S(=O)(=O)(N(Cc1oc(cc1)CN(Cc1c2c(nccc2)ccc1)C)C)C
• Canonical SMILES: CN(Cc1cccc2c1cccn2)Cc1ccc(o1)CN(S(=O)(=O)C)C
• InChI: InChI=1S/C19H23N3O3S/c1-21(12-15-6-4-8-19-18(15)7-5-11-20-19)13-16-9-10-17(25-16)14-22(2)26(3,23)24/h4-11H,12-14H2,1-3H3
• InChIKey: HCEAXGFKXTXPBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(5-{[methyl(quinolin-5-ylmethyl)amino]methyl}furan-2-yl)methyl]methanesulfonamide
• IUPAC Traditional name: N-methyl-N-[(5-{[methyl(quinolin-5-ylmethyl)amino]methyl}furan-2-yl)methyl]methanesulfonamide
• Synonyms: N-methyl-N-[(5-{[methyl(5-quinolinylmethyl)amino]methyl}-2-furyl)methyl]methanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3261139
• LogD (pH = 7.4): 0.4432665
• Log P: 1.440348
• Molar Refractivity: 101.8179 cm^3
• Polarizability: 41.273003 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.26
• LOG S: -2.85
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 6