2-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-imidazol-2-yl}quinoline

• ChemBase ID: 517951
• Molecular Formular: C19H22N4
• Molecular Mass: 306.40478
• Monoisotopic Mass: 306.18444672
• SMILES: c1(n(ccn1)CCC1N(CCC1)C)c1nc2c(cc1)cccc2
• Canonical SMILES: CN1CCCC1CCn1ccnc1c1ccc2c(n1)cccc2
• InChI: InChI=1S/C19H22N4/c1-22-12-4-6-16(22)10-13-23-14-11-20-19(23)18-9-8-15-5-2-3-7-17(15)21-18/h2-3,5,7-9,11,14,16H,4,6,10,12-13H2,1H3
• InChIKey: QTIRAZSMNOZXJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-imidazol-2-yl}quinoline
• IUPAC Traditional name: 2-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl}quinoline
• Synonyms: 2-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-imidazol-2-yl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.26353103
• LogD (pH = 7.4): 0.7019068
• Log P: 3.1908958
• Molar Refractivity: 102.6561 cm^3
• Polarizability: 37.738377 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.57
• LOG S: -2.62
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4