6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine)

C126H158Cl6F9N13O20S3 — CID 158903607

IUPAC6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine)
SMILESCCCOCCCNC(=O)CCCCCOc1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2n1.COCCOCCCN.COCCOCCCN.COCCOCCCNC(=O)CCCCCOc1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2n1.O=C(O)CCCCCOc1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C40H47Cl2F3N4O6S.C40H47Cl2F3N4O5S.C34H34Cl2F3N3O5S.2C6H15NO2/c1-53-24-25-54-22-5-19-46-37(50)6-3-2-4-23-55-38-27-36(47-33-17-20-49(21-18-33)56(51,52)40(43,44)45)34-26-30(11-16-35(34)48-38)39(28-7-12-31(41)13-8-28)29-9-14-32(42)15-10-29;1-2-23-53-24-6-20-46-37(50)7-4-3-5-25-54-38-27-36(47-33-18-21-49(22-19-33)55(51,52)40(43,44)45)34-26-30(12-17-35(34)48-38)39(28-8-13-31(41)14-9-28)29-10-15-32(42)16-11-29;35-25-10-5-22(6-11-25)33(23-7-12-26(36)13-8-23)24-9-14-29-28(20-24)30(21-31(41-29)47-19-3-1-2-4-32(43)44)40-27-15-17-42(18-16-27)48(45,46)34(37,38)39;2*1-8-5-6-9-4-2-3-7/h7-16,26-27,33,39H,2-6,17-25H2,1H3,(H,46,50)(H,47,48);8-17,26-27,33,39H,2-7,18-25H2,1H3,(H,46,50)(H,47,48);5-14,20-21,27,33H,1-4,15-19H2,(H,40,41)(H,43,44);2*2-7H2,1H3
InChIKeyJFTHRUWJUHCGGE-UHFFFAOYSA-N
MW2654.62 g/mol
LogP26.34
Rot. Bonds64

About 6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine)

6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine) (PubChem CID 158903607) has the molecular formula C126H158Cl6F9N13O20S3 and a molecular weight of 2654.62 g/mol. Its IUPAC name is 6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine).

Molecular Properties

Compound Name6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine)
PubChem CID158903607
Molecular FormulaC126H158Cl6F9N13O20S3
Molecular Weight2654.62 g/mol
Exact Mass2649.89
IUPAC Name6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine)
SMILESCCCOCCCNC(=O)CCCCCOc1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2n1.COCCOCCCN.COCCOCCCN.COCCOCCCNC(=O)CCCCCOc1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2n1.O=C(O)CCCCCOc1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C40H47Cl2F3N4O6S.C40H47Cl2F3N4O5S.C34H34Cl2F3N3O5S.2C6H15NO2/c1-53-24-25-54-22-5-19-46-37(50)6-3-2-4-23-55-38-27-36(47-33-17-20-49(21-18-33)56(51,52)40(43,44)45)34-26-30(11-16-35(34)48-38)39(28-7-12-31(41)13-8-28)29-9-14-32(42)15-10-29;1-2-23-53-24-6-20-46-37(50)7-4-3-5-25-54-38-27-36(47-33-18-21-49(22-19-33)55(51,52)40(43,44)45)34-26-30(12-17-35(34)48-38)39(28-8-13-31(41)14-9-28)29-10-15-32(42)16-11-29;35-25-10-5-22(6-11-25)33(23-7-12-26(36)13-8-23)24-9-14-29-28(20-24)30(21-31(41-29)47-19-3-1-2-4-32(43)44)40-27-15-17-42(18-16-27)48(45,46)34(37,38)39;2*1-8-5-6-9-4-2-3-7/h7-16,26-27,33,39H,2-6,17-25H2,1H3,(H,46,50)(H,47,48);8-17,26-27,33,39H,2-7,18-25H2,1H3,(H,46,50)(H,47,48);5-14,20-21,27,33H,1-4,15-19H2,(H,40,41)(H,43,44);2*2-7H2,1H3
InChIKeyJFTHRUWJUHCGGE-UHFFFAOYSA-N
XLogP26.34
TPSA426.74 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds64
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002654.62
LogP ≤ 526.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine) with MolForge

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Related Compounds

6-(bis(4-chlorophenyl)methyl)-2-(2-methoxyethoxy)-N-(1-((trifluoromethyl)sulfonyl)piperidin-4-yl)quinolin-4-amine
CID 118324131
6-[6-[Bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid
CID 118329995
6-[bis(4-chlorophenyl)methyl]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine
CID 126630141
6-[bis(4-chlorophenyl)methyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine
CID 126630168
2-[6-[Bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyacetic acid
CID 118329993
2-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-methylacetamide
CID 118329994
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-[bis(4-chlorophenyl)methyl]-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine
CID 126617688
6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide
CID 126630126
2-[2-[2-[2-[2-[2-[6-[Bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 126630127
2-[2-[2-[6-[Bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyethoxy]ethoxy]ethanol
CID 126630133
6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide
CID 126630153
6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 139267924

Frequently Asked Questions

What is the IUPAC name of 6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine)?
The IUPAC name of 6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine) (CID 158903607) is 6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine).
What is the SMILES notation for 6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine)?
The canonical SMILES for 6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine) is CCCOCCCNC(=O)CCCCCOc1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2n1.COCCOCCCN.COCCOCCCN.COCCOCCCNC(=O)CCCCCOc1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2n1.O=C(O)CCCCCOc1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of 6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine)?
The InChIKey is JFTHRUWJUHCGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H47Cl2F3N4O6S.C40H47Cl2F3N4O5S.C34H34Cl2F3N3O5S.2C6H15NO2/c1-53-24-25-54-22-5-19-46-37(50)6-3-2-4-23-55-38-27-36(47-33-17-20-49(21-18-33)56(51,52)40(43,44)45)34-26-30(11-16-35(34)48-38)39(28-7-12-31(41)13-8-28)29-9-14-32(42)15-10-29;1-2-23-53-24-6-20-46-37(50)7-4-3-5-25-54-38-27-36(47-33-18-21-49(22-19-33)55(51,52)40(43,44)45)34-26-30(12-17-35(34)48-38)39(28-8-13-31(41)14-9-28)29-10-15-32(42)16-11-29;35-25-10-5-22(6-11-25)33(23-7-12-26(36)13-8-23)24-9-14-29-28(20-24)30(21-31(41-29)47-19-3-1-2-4-32(43)44)40-27-15-17-42(18-16-27)48(45,46)34(37,38)39;2*1-8-5-6-9-4-2-3-7/h7-16,26-27,33,39H,2-6,17-25H2,1H3,(H,46,50)(H,47,48);8-17,26-27,33,39H,2-7,18-25H2,1H3,(H,46,50)(H,47,48);5-14,20-21,27,33H,1-4,15-19H2,(H,40,41)(H,43,44);2*2-7H2,1H3.
What are the key properties of 6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine)?
6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine) has a molecular weight of 2654.62 g/mol, XLogP of 26.34, 64 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxyhexanoic acid;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-[3-(2-methoxyethoxy)propyl]hexanamide;6-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-2-yl]oxy-N-(3-propoxypropyl)hexanamide;bis(3-(2-methoxyethoxy)propan-1-amine) is sourced from PubChem (CID 158903607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).