7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol

C114H76Cl11F13N12O6 — CID 158825768

About 7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol

7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol (PubChem CID 158825768) has the molecular formula C114H76Cl11F13N12O6 and a molecular weight of 2346.90 g/mol. Its IUPAC name is 7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol.

Molecular Properties

• Compound Name: 7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol
• PubChem CID: 158825768
• Molecular Formula: C114H76Cl11F13N12O6
• Molecular Weight: 2346.90 g/mol
• Exact Mass: 2340.24
• IUPAC Name: 7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol
• SMILES: CCc1cc(Cl)cnc1NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O.Cc1cc(Cl)cnc1NC(c1ccc(Cl)c(F)c1)c1ccc2cccnc2c1O.Oc1c(C(Cc2ncc(C(F)(F)F)cc2F)c2ccc(Cl)cc2Cl)ccc2cccnc12.Oc1c(C(Cc2ncc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)ccc2cccnc12.Oc1c(C(Cc2ncc(Cl)cc2F)c2c(F)c(F)c(OCC(F)(F)F)c(F)c2F)ccc2cccnc12
• InChI: InChI=1S/C24H13ClF8N2O2.C23H14Cl2F4N2O.C23H19Cl2N3O.C22H14Cl4N2O.C22H16Cl2FN3O/c25-11-6-14(26)15(35-8-11)7-13(12-4-3-10-2-1-5-34-21(10)22(12)36)16-17(27)19(29)23(20(30)18(16)28)37-9-24(31,32)33;24-14-4-6-15(18(25)9-14)17(10-20-19(26)8-13(11-31-20)23(27,28)29)16-5-3-12-2-1-7-30-21(12)22(16)32;1-2-14-12-18(25)13-27-23(14)28-20(16-5-8-17(24)9-6-16)19-10-7-15-4-3-11-26-21(15)22(19)29;23-13-4-6-15(18(25)8-13)17(10-20-19(26)9-14(24)11-28-20)16-5-3-12-2-1-7-27-21(12)22(16)29;1-12-9-15(23)11-27-22(12)28-19(14-5-7-17(24)18(25)10-14)16-6-4-13-3-2-8-26-20(13)21(16)29/h1-6,8,13,36H,7,9H2;1-9,11,17,32H,10H2;3-13,20,29H,2H2,1H3,(H,27,28);1-9,11,17,29H,10H2;2-11,19,29H,1H3,(H,27,28)
• InChIKey: IWLARKBNJTWAKV-UHFFFAOYSA-N
• XLogP: 34.20
• TPSA: 263.34 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 23
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2346.90
LogP ≤ 5	34.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol?

The IUPAC name of 7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol (CID 158825768) is 7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol.

What is the SMILES notation for 7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol?

The canonical SMILES for 7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol is CCc1cc(Cl)cnc1NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O.Cc1cc(Cl)cnc1NC(c1ccc(Cl)c(F)c1)c1ccc2cccnc2c1O.Oc1c(C(Cc2ncc(C(F)(F)F)cc2F)c2ccc(Cl)cc2Cl)ccc2cccnc12.Oc1c(C(Cc2ncc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)ccc2cccnc12.Oc1c(C(Cc2ncc(Cl)cc2F)c2c(F)c(F)c(OCC(F)(F)F)c(F)c2F)ccc2cccnc12.

What is the InChIKey of 7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol?

The InChIKey is IWLARKBNJTWAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClF8N2O2.C23H14Cl2F4N2O.C23H19Cl2N3O.C22H14Cl4N2O.C22H16Cl2FN3O/c25-11-6-14(26)15(35-8-11)7-13(12-4-3-10-2-1-5-34-21(10)22(12)36)16-17(27)19(29)23(20(30)18(16)28)37-9-24(31,32)33;24-14-4-6-15(18(25)9-14)17(10-20-19(26)8-13(11-31-20)23(27,28)29)16-5-3-12-2-1-7-30-21(12)22(16)32;1-2-14-12-18(25)13-27-23(14)28-20(16-5-8-17(24)9-6-16)19-10-7-15-4-3-11-26-21(15)22(19)29;23-13-4-6-15(18(25)8-13)17(10-20-19(26)9-14(24)11-28-20)16-5-3-12-2-1-7-27-21(12)22(16)29;1-12-9-15(23)11-27-22(12)28-19(14-5-7-17(24)18(25)10-14)16-6-4-13-3-2-8-26-20(13)21(16)29/h1-6,8,13,36H,7,9H2;1-9,11,17,32H,10H2;3-13,20,29H,2H2,1H3,(H,27,28);1-9,11,17,29H,10H2;2-11,19,29H,1H3,(H,27,28).

What are the key properties of 7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol?

7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol has a molecular weight of 2346.90 g/mol, XLogP of 34.20, 23 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(4-chlorophenyl)methyl]quinolin-8-ol;7-[(4-chloro-3-fluorophenyl)-[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(5-chloro-3-fluoro-2-pyridinyl)-1-[2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 158825768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).