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

• ChemBase ID: 719555
• Molecular Formular: C21H23N3O3
• Molecular Mass: 365.42562
• Monoisotopic Mass: 365.17394161
• SMILES: c1(nc(oc1)COc1cc2c(nccc2)cc1)C(=O)N1CC(CC1)CCC
• Canonical SMILES: CCCC1CCN(C1)C(=O)c1coc(n1)COc1ccc2c(c1)cccn2
• InChI: InChI=1S/C21H23N3O3/c1-2-4-15-8-10-24(12-15)21(25)19-13-27-20(23-19)14-26-17-6-7-18-16(11-17)5-3-9-22-18/h3,5-7,9,11,13,15H,2,4,8,10,12,14H2,1H3
• InChIKey: IKMSLDFWNVHJSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0044188
• LogD (pH = 7.4): 3.0558102
• Log P: 3.0565104
• Molar Refractivity: 100.8059 cm^3
• Polarizability: 40.027447 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