1-(pyrrolidin-1-yl)-2-[4-(quinoxaline-6-carbonyl)morpholin-3-yl]ethan-1-one

• ChemBase ID: 844869
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: N1(C(=O)c2cc3nccnc3cc2)C(CC(=O)N2CCCC2)COCC1
• Canonical SMILES: O=C(N1CCCC1)CC1COCCN1C(=O)c1ccc2c(c1)nccn2
• InChI: InChI=1S/C19H22N4O3/c24-18(22-7-1-2-8-22)12-15-13-26-10-9-23(15)19(25)14-3-4-16-17(11-14)21-6-5-20-16/h3-6,11,15H,1-2,7-10,12-13H2
• InChIKey: DVIDQMYXOJQQHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-1-yl)-2-[4-(quinoxaline-6-carbonyl)morpholin-3-yl]ethan-1-one
• IUPAC Traditional name: 1-(pyrrolidin-1-yl)-2-[4-(quinoxaline-6-carbonyl)morpholin-3-yl]ethanone
• Synonyms: 6-({3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-morpholinyl}carbonyl)quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.19952296
• LogD (pH = 7.4): 0.19954023
• Log P: 0.19954044
• Molar Refractivity: 95.0075 cm^3
• Polarizability: 37.753914 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.84
• LOG S: -2.38
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 3