3-methoxy-2-(quinolin-8-yl)pyridin-4-amine

• ChemBase ID: 692790
• Molecular Formular: C15H13N3O
• Molecular Mass: 251.28322
• Monoisotopic Mass: 251.10586205
• SMILES: c1(c2c3ncccc3ccc2)c(c(N)ccn1)OC
• Canonical SMILES: COc1c(N)ccnc1c1cccc2c1nccc2
• InChI: InChI=1S/C15H13N3O/c1-19-15-12(16)7-9-18-14(15)11-6-2-4-10-5-3-8-17-13(10)11/h2-9H,1H3,(H2,16,18)
• InChIKey: XZEARAGZNAZWNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-(quinolin-8-yl)pyridin-4-amine
• IUPAC Traditional name: 3-methoxy-2-(quinolin-8-yl)pyridin-4-amine
• Synonyms: 3-methoxy-2-quinolin-8-ylpyridin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5567783
• LogD (pH = 7.4): 1.4152901
• Log P: 1.9597065
• Molar Refractivity: 73.7502 cm^3
• Polarizability: 30.757332 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.33
• LOG S: -2.17
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2