6-{[4-(2-propylpyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline

• ChemBase ID: 424450
• Molecular Formular: C21H23N3O3
• Molecular Mass: 365.42562
• Monoisotopic Mass: 365.17394161
• SMILES: c1(C(=O)N2C(CCC2)CCC)nc(oc1)COc1cc2c(nccc2)cc1
• Canonical SMILES: CCCC1CCCN1C(=O)c1coc(n1)COc1ccc2c(c1)cccn2
• InChI: InChI=1S/C21H23N3O3/c1-2-5-16-7-4-11-24(16)21(25)19-13-27-20(23-19)14-26-17-8-9-18-15(12-17)6-3-10-22-18/h3,6,8-10,12-13,16H,2,4-5,7,11,14H2,1H3
• InChIKey: ASIGHSSVWYBVRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{[4-(2-propylpyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline
• IUPAC Traditional name: 6-{[4-(2-propylpyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methoxy}quinoline
• Synonyms: 6-({4-[(2-propylpyrrolidin-1-yl)carbonyl]-1,3-oxazol-2-yl}methoxy)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1339748
• LogD (pH = 7.4): 3.1853662
• Log P: 3.1860664
• Molar Refractivity: 100.6761 cm^3
• Polarizability: 40.02743 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.67
• LOG S: -3.29
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6