7-chloro-2-(2-methoxyphenyl)-3-(morpholin-4-ylmethyl)quinoline

• ChemBase ID: 860146
• Molecular Formular: C21H21ClN2O2
• Molecular Mass: 368.85664
• Monoisotopic Mass: 368.1291556
• SMILES: c1(nc2c(cc1CN1CCOCC1)ccc(c2)Cl)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1nc2cc(Cl)ccc2cc1CN1CCOCC1
• InChI: InChI=1S/C21H21ClN2O2/c1-25-20-5-3-2-4-18(20)21-16(14-24-8-10-26-11-9-24)12-15-6-7-17(22)13-19(15)23-21/h2-7,12-13H,8-11,14H2,1H3
• InChIKey: JGAFRRFVGMLQEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-2-(2-methoxyphenyl)-3-(morpholin-4-ylmethyl)quinoline
• IUPAC Traditional name: 7-chloro-2-(2-methoxyphenyl)-3-(morpholin-4-ylmethyl)quinoline
• Synonyms: 7-chloro-2-(2-methoxyphenyl)-3-(4-morpholinylmethyl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9004805
• LogD (pH = 7.4): 4.209033
• Log P: 4.3332458
• Molar Refractivity: 103.6287 cm^3
• Polarizability: 43.016438 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.28
• LOG S: -3.68
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4