2-(3-chlorophenyl)-6,7-dimethoxy-3-(morpholin-4-ylmethyl)quinoline

• ChemBase ID: 747693
• Molecular Formular: C22H23ClN2O3
• Molecular Mass: 398.88262
• Monoisotopic Mass: 398.13972029
• SMILES: n1c(c(cc2c1cc(c(c2)OC)OC)CN1CCOCC1)c1cc(Cl)ccc1
• Canonical SMILES: COc1cc2cc(CN3CCOCC3)c(nc2cc1OC)c1cccc(c1)Cl
• InChI: InChI=1S/C22H23ClN2O3/c1-26-20-12-16-10-17(14-25-6-8-28-9-7-25)22(15-4-3-5-18(23)11-15)24-19(16)13-21(20)27-2/h3-5,10-13H,6-9,14H2,1-2H3
• InChIKey: TYBOWZSEYPQMRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chlorophenyl)-6,7-dimethoxy-3-(morpholin-4-ylmethyl)quinoline
• IUPAC Traditional name: 2-(3-chlorophenyl)-6,7-dimethoxy-3-(morpholin-4-ylmethyl)quinoline
• Synonyms: 2-(3-chlorophenyl)-6,7-dimethoxy-3-(4-morpholinylmethyl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.638109
• LogD (pH = 7.4): 4.0215282
• Log P: 4.175575
• Molar Refractivity: 110.0919 cm^3
• Polarizability: 45.499813 Å^3
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.67
• LOG S: -4.23
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 5