7-fluoro-2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-4-methylquinoline

• ChemBase ID: 338153
• Molecular Formular: C21H25FN4O
• Molecular Mass: 368.4478032
• Monoisotopic Mass: 368.20123966
• SMILES: c1(C2CN(c3nc4c(c(c3)C)ccc(c4)F)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)c1cc(C)c2c(n1)cc(cc2)F
• InChI: InChI=1S/C21H25FN4O/c1-15-12-20(24-19-13-17(22)5-6-18(15)19)26-8-3-4-16(14-26)21-23-7-9-25(21)10-11-27-2/h5-7,9,12-13,16H,3-4,8,10-11,14H2,1-2H3
• InChIKey: LUCAGOZAQKZIEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-4-methylquinoline
• IUPAC Traditional name: 7-fluoro-2-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl}-4-methylquinoline
• Synonyms: 7-fluoro-2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-4-methylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5307176
• LogD (pH = 7.4): 3.968995
• Log P: 4.0964303
• Molar Refractivity: 104.9569 cm^3
• Polarizability: 40.429592 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.87
• LOG S: -3.48
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 5