About N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[dideuterio-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,7,8-tetradeuterio-6-methyl-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]acetamide
N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[dideuterio-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,7,8-tetradeuterio-6-methyl-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]acetamide (PubChem CID 160924690) has the molecular formula C123H120F15N9O9S3
and a molecular weight of 2300.85 g/mol. Its IUPAC name is N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[dideuterio-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,7,8-tetradeuterio-6-methyl-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]acetamide.
Frequently Asked Questions
What is the IUPAC name of N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[dideuterio-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,7,8-tetradeuterio-6-methyl-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]acetamide?
The IUPAC name of N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[dideuterio-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,7,8-tetradeuterio-6-methyl-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]acetamide (CID 160924690) is N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[dideuterio-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,7,8-tetradeuterio-6-methyl-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]acetamide.
What is the SMILES notation for N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[dideuterio-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,7,8-tetradeuterio-6-methyl-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]acetamide?
The canonical SMILES for N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[dideuterio-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,7,8-tetradeuterio-6-methyl-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]acetamide is [2H]C(C)(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N(C(=O)Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc21)C1([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])OC)C([2H])([2H])C1([2H])[2H].[2H]C([2H])(Sc1cc(=O)c2ccccc2n1CC(=O)N(C1CCN(C([2H])([2H])C([2H])([2H])OC)CC1)C([2H])(C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1cccc(F)c1F.[2H]c1c([2H])c(F)c(F)c(CSc2c([2H])c(=O)c3c([2H])c(C)c([2H])c([2H])c3n2CC(=O)N(C([2H])([2H])c2c([2H])c([2H])c(-c3c([2H])c([2H])c(C(F)(F)F)c([2H])c3[2H])c([2H])c2[2H])C2([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])OC)C([2H])([2H])C2([2H])[2H])c1[2H].
What is the InChIKey of N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[dideuterio-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,7,8-tetradeuterio-6-methyl-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]acetamide?
The InChIKey is SSMIIGIFZUCXBV-SZKXGEJUSA-N. The full InChI is InChI=1S/3C41H40F5N3O3S/c2*1-27(28-10-12-29(13-11-28)30-14-16-32(17-15-30)41(44,45)46)49(33-18-20-47(21-19-33)22-23-52-2)38(51)25-48-36-9-4-3-7-34(36)37(50)24-39(48)53-26-31-6-5-8-35(42)40(31)43;1-27-6-15-36-34(22-27)37(50)23-39(53-26-31-4-3-5-35(42)40(31)43)49(36)25-38(51)48(33-16-18-47(19-17-33)20-21-52-2)24-28-7-9-29(10-8-28)30-11-13-32(14-12-30)41(44,45)46/h2*3-17,24,27,33H,18-23,25-26H2,1-2H3;3-15,22-23,33H,16-21,24-26H2,1-2H3/i18D2,19D2,20D2,21D2,22D2,23D2,27D,33D;22D2,23D2,26D2,27D;3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D2,17D2,18D2,19D2,20D2,21D2,22D,23D,24D2,33D.
What are the key properties of N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[dideuterio-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,7,8-tetradeuterio-6-methyl-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]acetamide?
N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[dideuterio-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,7,8-tetradeuterio-6-methyl-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]acetamide has a molecular weight of 2300.85 g/mol, XLogP of 26.62, 36 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[1-deuterio-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]acetamide;N-[dideuterio-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1,2,2-tetradeuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,7,8-tetradeuterio-6-methyl-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]acetamide is sourced from PubChem (CID 160924690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).