5-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}quinoxaline

• ChemBase ID: 760392
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: C(=O)(c1c2nccnc2ccc1)N1CC(c2n(ccn2)CCOC)CCC1
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1cccc2c1nccn2
• InChI: InChI=1S/C20H23N5O2/c1-27-13-12-24-11-9-23-19(24)15-4-3-10-25(14-15)20(26)16-5-2-6-17-18(16)22-8-7-21-17/h2,5-9,11,15H,3-4,10,12-14H2,1H3
• InChIKey: FLSVELXMRAMKJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}quinoxaline
• IUPAC Traditional name: 5-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl}quinoxaline
• Synonyms: 5-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.5453696
• LogD (pH = 7.4): 1.1761549
• Log P: 1.2039757
• Molar Refractivity: 101.3001 cm^3
• Polarizability: 39.91416 Å^3
• Polar Surface Area: 73.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -1.05
• LOG S: -2.28
• Polar Surface Area: 73.14 Å^2
• Rotatable Bonds: 5