7-fluoro-3-(morpholin-4-ylmethyl)-1-(2-phenoxyethyl)-1,2-dihydroquinolin-2-one

• ChemBase ID: 668862
• Molecular Formular: C22H23FN2O3
• Molecular Mass: 382.4280232
• Monoisotopic Mass: 382.16927083
• SMILES: c1(c(=O)n(c2c(c1)ccc(c2)F)CCOc1ccccc1)CN1CCOCC1
• Canonical SMILES: Fc1ccc2c(c1)n(CCOc1ccccc1)c(=O)c(c2)CN1CCOCC1
• InChI: InChI=1S/C22H23FN2O3/c23-19-7-6-17-14-18(16-24-8-11-27-12-9-24)22(26)25(21(17)15-19)10-13-28-20-4-2-1-3-5-20/h1-7,14-15H,8-13,16H2
• InChIKey: DHCGRZBZXSPETB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-3-(morpholin-4-ylmethyl)-1-(2-phenoxyethyl)-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 7-fluoro-3-(morpholin-4-ylmethyl)-1-(2-phenoxyethyl)quinolin-2-one
• Synonyms: 7-fluoro-3-(4-morpholinylmethyl)-1-(2-phenoxyethyl)-2(1H)-quinolinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9147747
• LogD (pH = 7.4): 2.8128424
• Log P: 2.8529854
• Molar Refractivity: 106.0968 cm^3
• Polarizability: 40.46068 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.32
• LOG S: -2.34
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 6