8-[3-(1-methoxyethyl)phenyl]quinolin-4-amine

• ChemBase ID: 724863
• Molecular Formular: C18H18N2O
• Molecular Mass: 278.34832
• Monoisotopic Mass: 278.14191321
• SMILES: c12c(c(N)ccn2)cccc1c1cc(C(OC)C)ccc1
• Canonical SMILES: COC(c1cccc(c1)c1cccc2c1nccc2N)C
• InChI: InChI=1S/C18H18N2O/c1-12(21-2)13-5-3-6-14(11-13)15-7-4-8-16-17(19)9-10-20-18(15)16/h3-12H,1-2H3,(H2,19,20)
• InChIKey: ZDIRZIREUAWZPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[3-(1-methoxyethyl)phenyl]quinolin-4-amine
• IUPAC Traditional name: 8-[3-(1-methoxyethyl)phenyl]quinolin-4-amine
• Synonyms: 8-[3-(1-methoxyethyl)phenyl]quinolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9530222
• LogD (pH = 7.4): 2.8007746
• Log P: 3.2415516
• Molar Refractivity: 85.8018 cm^3
• Polarizability: 35.40418 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.71
• LOG S: -3.54
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3