2,3-dimethyl-6-(2-phenylazetidine-1-carbonyl)quinoxaline

• ChemBase ID: 750967
• Molecular Formular: C20H19N3O
• Molecular Mass: 317.38436
• Monoisotopic Mass: 317.15281224
• SMILES: N1(C(=O)c2cc3nc(c(nc3cc2)C)C)C(CC1)c1ccccc1
• Canonical SMILES: O=C(N1CCC1c1ccccc1)c1ccc2c(c1)nc(c(n2)C)C
• InChI: InChI=1S/C20H19N3O/c1-13-14(2)22-18-12-16(8-9-17(18)21-13)20(24)23-11-10-19(23)15-6-4-3-5-7-15/h3-9,12,19H,10-11H2,1-2H3
• InChIKey: IGBQGAUXUQKDGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-6-(2-phenylazetidine-1-carbonyl)quinoxaline
• IUPAC Traditional name: 2,3-dimethyl-6-(2-phenylazetidine-1-carbonyl)quinoxaline
• Synonyms: 2,3-dimethyl-6-[(2-phenyl-1-azetidinyl)carbonyl]quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5324106
• LogD (pH = 7.4): 2.5324852
• Log P: 2.5324862
• Molar Refractivity: 92.6844 cm^3
• Polarizability: 36.830864 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.02
• LOG S: -3.24
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 2