6-{3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}quinoxaline

• ChemBase ID: 315217
• Molecular Formular: C22H25N5O
• Molecular Mass: 375.4668
• Monoisotopic Mass: 375.20591045
• SMILES: c1(n(ccn1)CC1CCC1)C1CN(C(=O)c2cc3nccnc3cc2)CCC1
• Canonical SMILES: O=C(c1ccc2c(c1)nccn2)N1CCCC(C1)c1nccn1CC1CCC1
• InChI: InChI=1S/C22H25N5O/c28-22(17-6-7-19-20(13-17)24-9-8-23-19)27-11-2-5-18(15-27)21-25-10-12-26(21)14-16-3-1-4-16/h6-10,12-13,16,18H,1-5,11,14-15H2
• InChIKey: LUQYFXWWZMWCFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}quinoxaline
• IUPAC Traditional name: 6-{3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl}quinoxaline
• Synonyms: 6-({3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8094425
• LogD (pH = 7.4): 2.4473135
• Log P: 2.476097
• Molar Refractivity: 106.7996 cm^3
• Polarizability: 42.17622 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.22
• LOG S: -2.98
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 4