(2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl](quinolin-2-ylmethyl)amine

• ChemBase ID: 696352
• Molecular Formular: C22H24N2O
• Molecular Mass: 332.43876
• Monoisotopic Mass: 332.1888634
• SMILES: n1c2c(ccc1CN(C/C=C/c1ccccc1)CCOC)cccc2
• Canonical SMILES: COCCN(Cc1ccc2c(n1)cccc2)C/C=C/c1ccccc1
• InChI: InChI=1S/C22H24N2O/c1-25-17-16-24(15-7-10-19-8-3-2-4-9-19)18-21-14-13-20-11-5-6-12-22(20)23-21/h2-14H,15-18H2,1H3/b10-7+
• InChIKey: ZNKAICZTWHPTLV-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl](quinolin-2-ylmethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl](quinolin-2-ylmethyl)amine
• Synonyms: (2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl](quinolin-2-ylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7453299
• LogD (pH = 7.4): 4.2311773
• Log P: 4.4411826
• Molar Refractivity: 103.9745 cm^3
• Polarizability: 41.621143 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.34
• LOG S: -4.32
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 8