1-ethylpyrrolidin-2-one compound with ((1R,4R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanol (1:1)

• ChemBase ID: 205088
• Molecular Formular: C26H37N3O3
• Molecular Mass: 439.59028
• Monoisotopic Mass: 439.28349206
• SMILES: N12C(C(c3c4c(ncc3)ccc(c4)OC)O)C[C@@H](C(C1)CC)CC2.N1(C(=O)CCC1)CC
• Canonical SMILES: CCC1CN2CC[C@H]1CC2C(c1ccnc2c1cc(OC)cc2)O.CCN1CCCC1=O
• InChI: InChI=1S/C20H26N2O2.C6H11NO/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-7-5-3-4-6(7)8/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;2-5H2,1H3/t13?,14-,19?,20?;/m1./s1
• InChIKey: DKZVNRIRMXYYKL-BDZMFQCSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylpyrrolidin-2-one compound with ((1R,4R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanol (1:1)
• IUPAC Traditional name: 1-ethylpyrrolidin-2-one compound with ((1R,4R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanol (1:1)

Database IDs

• PubChem SID: 164260998
• PubChem CID: 16401292

CALCULATED PROPERTIES

• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: Polymer
• Classification: Derivatives & analogs of Natural Compounds