6-methyl-2-(morpholin-4-ylmethyl)quinolin-4-ol

• ChemBase ID: 528980
• Molecular Formular: C15H18N2O2
• Molecular Mass: 258.31562
• Monoisotopic Mass: 258.13682783
• SMILES: c12c(nc(cc1O)CN1CCOCC1)ccc(c2)C
• Canonical SMILES: Cc1ccc2c(c1)c(O)cc(n2)CN1CCOCC1
• InChI: InChI=1S/C15H18N2O2/c1-11-2-3-14-13(8-11)15(18)9-12(16-14)10-17-4-6-19-7-5-17/h2-3,8-9H,4-7,10H2,1H3,(H,16,18)
• InChIKey: SNWJEYUQTJEUPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(morpholin-4-ylmethyl)quinolin-4-ol
• IUPAC Traditional name: 6-methyl-2-(morpholin-4-ylmethyl)quinolin-4-ol
• Synonyms: 6-methyl-2-(morpholin-4-ylmethyl)quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.242042
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9222335
• LogD (pH = 7.4): 2.140748
• Log P: 2.1451247
• Molar Refractivity: 74.0964 cm^3
• Polarizability: 30.018978 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.87
• LOG S: -1.67
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 2