6-fluoro-4-methyl-2-{4-[1-(morpholin-4-yl)ethyl]piperidin-1-yl}quinoline

• ChemBase ID: 508251
• Molecular Formular: C21H28FN3O
• Molecular Mass: 357.4649232
• Monoisotopic Mass: 357.22164075
• SMILES: c1(nc2c(c(c1)C)cc(cc2)F)N1CCC(C(N2CCOCC2)C)CC1
• Canonical SMILES: Fc1ccc2c(c1)c(C)cc(n2)N1CCC(CC1)C(N1CCOCC1)C
• InChI: InChI=1S/C21H28FN3O/c1-15-13-21(23-20-4-3-18(22)14-19(15)20)25-7-5-17(6-8-25)16(2)24-9-11-26-12-10-24/h3-4,13-14,16-17H,5-12H2,1-2H3
• InChIKey: ZGOMMFMSUKFDLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-4-methyl-2-{4-[1-(morpholin-4-yl)ethyl]piperidin-1-yl}quinoline
• IUPAC Traditional name: 6-fluoro-4-methyl-2-{4-[1-(morpholin-4-yl)ethyl]piperidin-1-yl}quinoline
• Synonyms: 6-fluoro-4-methyl-2-{4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0672376
• LogD (pH = 7.4): 3.1657608
• Log P: 4.175007
• Molar Refractivity: 103.7414 cm^3
• Polarizability: 40.50737 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.25
• LOG S: -2.72
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 3