2-{1-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octane-6-carbonyl}quinoline

• ChemBase ID: 510101
• Molecular Formular: C24H29N3O3
• Molecular Mass: 407.50536
• Monoisotopic Mass: 407.2208918
• SMILES: C1(C2(C1)CCN(C(=O)c1nc3c(cc1)cccc3)CC2)C(=O)N1C[C@H](O[C@H](C1)C)C
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C(=O)C1CC21CCN(CC2)C(=O)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C24H29N3O3/c1-16-14-27(15-17(2)30-16)22(28)19-13-24(19)9-11-26(12-10-24)23(29)21-8-7-18-5-3-4-6-20(18)25-21/h3-8,16-17,19H,9-15H2,1-2H3/t16-,17+,19?
• InChIKey: HTORSRJSJRSQMM-JJTKIYQPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octane-6-carbonyl}quinoline
• IUPAC Traditional name: 2-{1-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octane-6-carbonyl}quinoline
• Synonyms: 2-[(1-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}-6-azaspiro[2.5]oct-6-yl)carbonyl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.266245
• LogD (pH = 7.4): 2.2662532
• Log P: 2.2662532
• Molar Refractivity: 113.6102 cm^3
• Polarizability: 45.276527 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.29
• LOG S: -3.71
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 2