6-methoxy-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 378299
• Molecular Formular: C16H20N4O4
• Molecular Mass: 332.3544
• Monoisotopic Mass: 332.14845514
• SMILES: C1(=O)N(CCNC(=O)C2c3c(NC(=O)C2)ccc(c3)OC)CCN1
• Canonical SMILES: COc1cc2C(CC(=O)Nc2cc1)C(=O)NCCN1CCNC1=O
• InChI: InChI=1S/C16H20N4O4/c1-24-10-2-3-13-11(8-10)12(9-14(21)19-13)15(22)17-4-6-20-7-5-18-16(20)23/h2-3,8,12H,4-7,9H2,1H3,(H,17,22)(H,18,23)(H,19,21)
• InChIKey: GUYFBCLUIBODNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: 6-methoxy-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: 6-methoxy-2-oxo-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-1,2,3,4-tetrahydro-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.362366
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.03743
• LogD (pH = 7.4): -1.0374304
• Log P: -1.03743
• Molar Refractivity: 87.5026 cm^3
• Polarizability: 32.798344 Å^3
• Polar Surface Area: 99.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.66
• LOG S: -2.37
• Polar Surface Area: 99.77 Å^2
• Rotatable Bonds: 5