1-[2-methyl-5-(5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)phenyl]imidazolidin-2-one

• ChemBase ID: 484113
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)N2Cc3c(CC2)nccc3)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)N1CCc2c(C1)cccn2
• InChI: InChI=1S/C19H20N4O2/c1-13-4-5-14(11-17(13)23-10-8-21-19(23)25)18(24)22-9-6-16-15(12-22)3-2-7-20-16/h2-5,7,11H,6,8-10,12H2,1H3,(H,21,25)
• InChIKey: QNGLUKBKYZDSHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-methyl-5-(5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)phenyl]imidazolidin-2-one
• IUPAC Traditional name: 1-[5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-2-methylphenyl]imidazolidin-2-one
• Synonyms: 1-[5-(7,8-dihydro-1,6-naphthyridin-6(5H)-ylcarbonyl)-2-methylphenyl]-2-imidazolidinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.584643
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1587274
• LogD (pH = 7.4): 1.1812587
• Log P: 1.1815543
• Molar Refractivity: 94.7418 cm^3
• Polarizability: 35.545387 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.34
• LOG S: -1.37
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 2