N-{2-[2-(quinolin-2-yl)-1H-imidazol-1-yl]ethyl}pyridin-3-amine

• ChemBase ID: 684907
• Molecular Formular: C19H17N5
• Molecular Mass: 315.37178
• Monoisotopic Mass: 315.14839557
• SMILES: c1(c2nc3c(cc2)cccc3)n(ccn1)CCNc1cnccc1
• Canonical SMILES: c1ccc(cn1)NCCn1ccnc1c1ccc2c(n1)cccc2
• InChI: InChI=1S/C19H17N5/c1-2-6-17-15(4-1)7-8-18(23-17)19-22-11-13-24(19)12-10-21-16-5-3-9-20-14-16/h1-9,11,13-14,21H,10,12H2
• InChIKey: UNLZPKVHJPDREG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2-(quinolin-2-yl)-1H-imidazol-1-yl]ethyl}pyridin-3-amine
• IUPAC Traditional name: N-{2-[2-(quinolin-2-yl)imidazol-1-yl]ethyl}pyridin-3-amine
• Synonyms: N-[2-(2-quinolin-2-yl-1H-imidazol-1-yl)ethyl]pyridin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4334295
• LogD (pH = 7.4): 2.6983867
• Log P: 2.7035537
• Molar Refractivity: 104.6863 cm^3
• Polarizability: 37.538612 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.19
• LOG S: -2.52
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5