N-[(2S,4R,6S)-2-ethyl-6-[2-(morpholin-4-yl)quinolin-3-yl]oxan-4-yl]acetamide

• ChemBase ID: 343312
• Molecular Formular: C22H29N3O3
• Molecular Mass: 383.48396
• Monoisotopic Mass: 383.2208918
• SMILES: c1(c(nc2c(c1)cccc2)N1CCOCC1)[C@H]1O[C@H](C[C@H](C1)NC(=O)C)CC
• Canonical SMILES: CC[C@H]1C[C@@H](NC(=O)C)C[C@H](O1)c1cc2ccccc2nc1N1CCOCC1
• InChI: InChI=1S/C22H29N3O3/c1-3-18-13-17(23-15(2)26)14-21(28-18)19-12-16-6-4-5-7-20(16)24-22(19)25-8-10-27-11-9-25/h4-7,12,17-18,21H,3,8-11,13-14H2,1-2H3,(H,23,26)/t17-,18+,21+/m1/s1
• InChIKey: SUVYKZKAIMIGNS-LQWHRVPQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2S,4R,6S)-2-ethyl-6-[2-(morpholin-4-yl)quinolin-3-yl]oxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2S,4R,6S)-2-ethyl-6-[2-(morpholin-4-yl)quinolin-3-yl]oxan-4-yl]acetamide
• Synonyms: N-[(2S*,4R*,6S*)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)tetrahydro-2H-pyran-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.719836
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.298104
• LogD (pH = 7.4): 2.5159109
• Log P: 2.519567
• Molar Refractivity: 108.8016 cm^3
• Polarizability: 43.14488 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.42
• LOG S: -3.21
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 4