[(6-fluoroquinolin-2-yl)methyl](methyl)[4-(morpholin-4-yl)butyl]amine

• ChemBase ID: 427804
• Molecular Formular: C19H26FN3O
• Molecular Mass: 331.4276432
• Monoisotopic Mass: 331.20599069
• SMILES: n1c2c(cc(cc2)F)ccc1CN(CCCCN1CCOCC1)C
• Canonical SMILES: CN(Cc1ccc2c(n1)ccc(c2)F)CCCCN1CCOCC1
• InChI: InChI=1S/C19H26FN3O/c1-22(8-2-3-9-23-10-12-24-13-11-23)15-18-6-4-16-14-17(20)5-7-19(16)21-18/h4-7,14H,2-3,8-13,15H2,1H3
• InChIKey: QKKNDTJUTUWPLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-fluoroquinolin-2-yl)methyl](methyl)[4-(morpholin-4-yl)butyl]amine
• IUPAC Traditional name: [(6-fluoroquinolin-2-yl)methyl](methyl)[4-(morpholin-4-yl)butyl]amine
• Synonyms: N-[(6-fluoroquinolin-2-yl)methyl]-N-methyl-4-morpholin-4-ylbutan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.1471906
• LogD (pH = 7.4): 1.2904836
• Log P: 2.6739376
• Molar Refractivity: 94.8198 cm^3
• Polarizability: 38.02807 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.2
• LOG S: -2.49
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 7