2,3-dimethyl-6-[3-(propoxymethyl)pyrrolidine-1-carbonyl]quinoxaline

• ChemBase ID: 859416
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: N1(C(=O)c2cc3nc(c(nc3cc2)C)C)CC(CC1)COCCC
• Canonical SMILES: CCCOCC1CCN(C1)C(=O)c1ccc2c(c1)nc(c(n2)C)C
• InChI: InChI=1S/C19H25N3O2/c1-4-9-24-12-15-7-8-22(11-15)19(23)16-5-6-17-18(10-16)21-14(3)13(2)20-17/h5-6,10,15H,4,7-9,11-12H2,1-3H3
• InChIKey: XAJPFKMVAYMNBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-6-[3-(propoxymethyl)pyrrolidine-1-carbonyl]quinoxaline
• IUPAC Traditional name: 2,3-dimethyl-6-[3-(propoxymethyl)pyrrolidine-1-carbonyl]quinoxaline
• Synonyms: 2,3-dimethyl-6-{[3-(propoxymethyl)-1-pyrrolidinyl]carbonyl}quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7578405
• LogD (pH = 7.4): 1.7579154
• Log P: 1.7579163
• Molar Refractivity: 93.3715 cm^3
• Polarizability: 37.112255 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.41
• LOG S: -2.79
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5