7-chloro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinoline

• ChemBase ID: 499890
• Molecular Formular: C19H24ClN3O
• Molecular Mass: 345.86636
• Monoisotopic Mass: 345.16079008
• SMILES: c12c(N3CCC(CN4CCOCC4)CC3)ccnc1cc(cc2)Cl
• Canonical SMILES: Clc1ccc2c(c1)nccc2N1CCC(CC1)CN1CCOCC1
• InChI: InChI=1S/C19H24ClN3O/c20-16-1-2-17-18(13-16)21-6-3-19(17)23-7-4-15(5-8-23)14-22-9-11-24-12-10-22/h1-3,6,13,15H,4-5,7-12,14H2
• InChIKey: GUUYEHRHMROLFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinoline
• IUPAC Traditional name: 7-chloro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinoline
• Synonyms: 7-chloro-4-[4-(4-morpholinylmethyl)-1-piperidinyl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.6053611
• LogD (pH = 7.4): 2.137919
• Log P: 3.1118953
• Molar Refractivity: 98.5563 cm^3
• Polarizability: 39.12226 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.19
• LOG S: -3.44
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 3