N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-3-yl)acetamide

• ChemBase ID: 407861
• Molecular Formular: C28H34N4O4S
• Molecular Mass: 522.65896
• Monoisotopic Mass: 522.23007659
• SMILES: c1(c(CN(C(=O)Cc2cscc2)CCCN2C(=O)CCC2)cc2c(n1)cc(cc2)OC)N1CCOCC1
• Canonical SMILES: COc1ccc2c(c1)nc(c(c2)CN(C(=O)Cc1cscc1)CCCN1CCCC1=O)N1CCOCC1
• InChI: InChI=1S/C28H34N4O4S/c1-35-24-6-5-22-17-23(28(29-25(22)18-24)31-11-13-36-14-12-31)19-32(27(34)16-21-7-15-37-20-21)10-3-9-30-8-2-4-26(30)33/h5-7,15,17-18,20H,2-4,8-14,16,19H2,1H3
• InChIKey: DYMRYWRIQUFRTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-3-yl)acetamide
• IUPAC Traditional name: N-{[7-methoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-3-yl)acetamide
• Synonyms: N-{[7-methoxy-2-(4-morpholinyl)-3-quinolinyl]methyl}-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-(3-thienyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.2936847
• LogD (pH = 7.4): 2.761614
• Log P: 2.7728045
• Molar Refractivity: 144.9517 cm^3
• Polarizability: 56.266903 Å^3
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.44
• LOG S: -3.83
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 9