8-chloro-2-[3-(3-methoxypropyl)piperidine-1-carbonyl]quinoline

• ChemBase ID: 769517
• Molecular Formular: C19H23ClN2O2
• Molecular Mass: 346.85112
• Monoisotopic Mass: 346.14480567
• SMILES: n1c(C(=O)N2CC(CCC2)CCCOC)ccc2c1c(Cl)ccc2
• Canonical SMILES: COCCCC1CCCN(C1)C(=O)c1ccc2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C19H23ClN2O2/c1-24-12-4-6-14-5-3-11-22(13-14)19(23)17-10-9-15-7-2-8-16(20)18(15)21-17/h2,7-10,14H,3-6,11-13H2,1H3
• InChIKey: FNBHSDRMWUBKTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-[3-(3-methoxypropyl)piperidine-1-carbonyl]quinoline
• IUPAC Traditional name: 8-chloro-2-[3-(3-methoxypropyl)piperidine-1-carbonyl]quinoline
• Synonyms: 8-chloro-2-{[3-(3-methoxypropyl)-1-piperidinyl]carbonyl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.729712
• LogD (pH = 7.4): 3.729712
• Log P: 3.729712
• Molar Refractivity: 95.7794 cm^3
• Polarizability: 38.20457 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.15
• LOG S: -3.56
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5