8-{1-[3-(morpholin-4-yl)propyl]-1H-imidazol-2-yl}quinoline

• ChemBase ID: 627371
• Molecular Formular: C19H22N4O
• Molecular Mass: 322.40418
• Monoisotopic Mass: 322.17936134
• SMILES: c1(c2c3ncccc3ccc2)n(ccn1)CCCN1CCOCC1
• Canonical SMILES: O1CCN(CC1)CCCn1ccnc1c1cccc2c1nccc2
• InChI: InChI=1S/C19H22N4O/c1-4-16-5-2-7-20-18(16)17(6-1)19-21-8-11-23(19)10-3-9-22-12-14-24-15-13-22/h1-2,4-8,11H,3,9-10,12-15H2
• InChIKey: PUCNRQOWSPBRHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{1-[3-(morpholin-4-yl)propyl]-1H-imidazol-2-yl}quinoline
• IUPAC Traditional name: 8-{1-[3-(morpholin-4-yl)propyl]imidazol-2-yl}quinoline
• Synonyms: 8-[1-(3-morpholin-4-ylpropyl)-1H-imidazol-2-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.27947995
• LogD (pH = 7.4): 1.6894594
• Log P: 2.1209805
• Molar Refractivity: 104.8914 cm^3
• Polarizability: 38.380173 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.58
• LOG S: -1.04
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 5