N-{[2-(dimethylamino)-8-methylquinolin-3-yl]methyl}-2-methyl-N-(oxolan-2-ylmethyl)propanamide

• ChemBase ID: 672374
• Molecular Formular: C22H31N3O2
• Molecular Mass: 369.50044
• Monoisotopic Mass: 369.24162725
• SMILES: c1(c(nc2c(c1)cccc2C)N(C)C)CN(C(=O)C(C)C)CC1OCCC1
• Canonical SMILES: O=C(N(Cc1cc2cccc(c2nc1N(C)C)C)CC1CCCO1)C(C)C
• InChI: InChI=1S/C22H31N3O2/c1-15(2)22(26)25(14-19-10-7-11-27-19)13-18-12-17-9-6-8-16(3)20(17)23-21(18)24(4)5/h6,8-9,12,15,19H,7,10-11,13-14H2,1-5H3
• InChIKey: PFQXKILZJQYDDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)-8-methylquinolin-3-yl]methyl}-2-methyl-N-(oxolan-2-ylmethyl)propanamide
• IUPAC Traditional name: N-{[2-(dimethylamino)-8-methylquinolin-3-yl]methyl}-2-methyl-N-(oxolan-2-ylmethyl)propanamide
• Synonyms: N-{[2-(dimethylamino)-8-methyl-3-quinolinyl]methyl}-2-methyl-N-(tetrahydro-2-furanylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.8372743
• LogD (pH = 7.4): 4.170671
• Log P: 4.1772256
• Molar Refractivity: 110.0326 cm^3
• Polarizability: 43.123146 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.21
• LOG S: -4.14
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4