8-(3-fluoro-5-methylphenyl)quinolin-4-amine

• ChemBase ID: 466060
• Molecular Formular: C16H13FN2
• Molecular Mass: 252.2862232
• Monoisotopic Mass: 252.10627665
• SMILES: c12c(c3cc(cc(c3)C)F)cccc1c(N)ccn2
• Canonical SMILES: Cc1cc(F)cc(c1)c1cccc2c1nccc2N
• InChI: InChI=1S/C16H13FN2/c1-10-7-11(9-12(17)8-10)13-3-2-4-14-15(18)5-6-19-16(13)14/h2-9H,1H3,(H2,18,19)
• InChIKey: CONDIHUJNBADNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(3-fluoro-5-methylphenyl)quinolin-4-amine
• IUPAC Traditional name: 8-(3-fluoro-5-methylphenyl)quinolin-4-amine
• Synonyms: 8-(3-fluoro-5-methylphenyl)quinolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3177807
• LogD (pH = 7.4): 3.1695194
• Log P: 3.6053233
• Molar Refractivity: 75.0735 cm^3
• Polarizability: 30.52398 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.11
• LOG S: -3.7
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1