5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol

C139H119Cl3F3N13O8S — CID 161150689

IUPAC5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCCOc1ccc(C(Cc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1.Cc1ccc(C)c(C(Cc2cccnc2)c2cc(Cl)c3cccnc3c2O)c1.Cc1cccc(CC(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)n1.Cc1ccnc(CC(c2ccc3cccnc3c2O)c2sccc2C)c1.Cc1ccnc(NC(c2ccc(C)c(O)c2)c2ccc3cccnc3c2O)c1.Oc1c(C(Cc2ccccn2)c2ccccc2Cl)ccc2cccnc12
InChIInChI=1S/C24H21ClN2O2.C24H21ClN2O.C24H19F3N2O.C23H21N3O2.C22H17ClN2O.C22H20N2OS/c1-2-29-18-10-8-16(9-11-18)20(14-17-6-3-4-12-26-17)21-15-22(25)19-7-5-13-27-23(19)24(21)28;1-15-7-8-16(2)19(11-15)20(12-17-5-3-9-26-14-17)21-13-22(25)18-6-4-10-27-23(18)24(21)28;1-15-4-2-6-19(29-15)14-21(16-7-10-18(11-8-16)24(25,26)27)20-12-9-17-5-3-13-28-22(17)23(20)30;1-14-9-11-24-20(12-14)26-21(17-6-5-15(2)19(27)13-17)18-8-7-16-4-3-10-25-22(16)23(18)28;23-20-9-2-1-8-17(20)19(14-16-7-3-4-12-24-16)18-11-10-15-6-5-13-25-21(15)22(18)26;1-14-7-10-23-17(12-14)13-19(22-15(2)8-11-26-22)18-6-5-16-4-3-9-24-20(16)21(18)25/h3-13,15,20,28H,2,14H2,1H3;3-11,13-14,20,28H,12H2,1-2H3;2-13,21,30H,14H2,1H3;3-13,21,27-28H,1-2H3,(H,24,26);1-13,19,26H,14H2;3-12,19,25H,13H2,1-2H3
InChIKeyUOQFAIYBICIVME-UHFFFAOYSA-N
MW2294.98 g/mol
LogP33.39
Rot. Bonds26

About 5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol

5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (PubChem CID 161150689) has the molecular formula C139H119Cl3F3N13O8S and a molecular weight of 2294.98 g/mol. Its IUPAC name is 5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
PubChem CID161150689
Molecular FormulaC139H119Cl3F3N13O8S
Molecular Weight2294.98 g/mol
Exact Mass2291.80
IUPAC Name5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCCOc1ccc(C(Cc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1.Cc1ccc(C)c(C(Cc2cccnc2)c2cc(Cl)c3cccnc3c2O)c1.Cc1cccc(CC(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)n1.Cc1ccnc(CC(c2ccc3cccnc3c2O)c2sccc2C)c1.Cc1ccnc(NC(c2ccc(C)c(O)c2)c2ccc3cccnc3c2O)c1.Oc1c(C(Cc2ccccn2)c2ccccc2Cl)ccc2cccnc12
InChIInChI=1S/C24H21ClN2O2.C24H21ClN2O.C24H19F3N2O.C23H21N3O2.C22H17ClN2O.C22H20N2OS/c1-2-29-18-10-8-16(9-11-18)20(14-17-6-3-4-12-26-17)21-15-22(25)19-7-5-13-27-23(19)24(21)28;1-15-7-8-16(2)19(11-15)20(12-17-5-3-9-26-14-17)21-13-22(25)18-6-4-10-27-23(18)24(21)28;1-15-4-2-6-19(29-15)14-21(16-7-10-18(11-8-16)24(25,26)27)20-12-9-17-5-3-13-28-22(17)23(20)30;1-14-9-11-24-20(12-14)26-21(17-6-5-15(2)19(27)13-17)18-8-7-16-4-3-10-25-22(16)23(18)28;23-20-9-2-1-8-17(20)19(14-16-7-3-4-12-24-16)18-11-10-15-6-5-13-25-21(15)22(18)26;1-14-7-10-23-17(12-14)13-19(22-15(2)8-11-26-22)18-6-5-16-4-3-9-24-20(16)21(18)25/h3-13,15,20,28H,2,14H2,1H3;3-11,13-14,20,28H,12H2,1-2H3;2-13,21,30H,14H2,1H3;3-13,21,27-28H,1-2H3,(H,24,26);1-13,19,26H,14H2;3-12,19,25H,13H2,1-2H3
InChIKeyUOQFAIYBICIVME-UHFFFAOYSA-N
XLogP33.39
TPSA317.55 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002294.98
LogP ≤ 533.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (CID 161150689) is 5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is CCOc1ccc(C(Cc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1.Cc1ccc(C)c(C(Cc2cccnc2)c2cc(Cl)c3cccnc3c2O)c1.Cc1cccc(CC(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)n1.Cc1ccnc(CC(c2ccc3cccnc3c2O)c2sccc2C)c1.Cc1ccnc(NC(c2ccc(C)c(O)c2)c2ccc3cccnc3c2O)c1.Oc1c(C(Cc2ccccn2)c2ccccc2Cl)ccc2cccnc12.
What is the InChIKey of 5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The InChIKey is UOQFAIYBICIVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2.C24H21ClN2O.C24H19F3N2O.C23H21N3O2.C22H17ClN2O.C22H20N2OS/c1-2-29-18-10-8-16(9-11-18)20(14-17-6-3-4-12-26-17)21-15-22(25)19-7-5-13-27-23(19)24(21)28;1-15-7-8-16(2)19(11-15)20(12-17-5-3-9-26-14-17)21-13-22(25)18-6-4-10-27-23(18)24(21)28;1-15-4-2-6-19(29-15)14-21(16-7-10-18(11-8-16)24(25,26)27)20-12-9-17-5-3-13-28-22(17)23(20)30;1-14-9-11-24-20(12-14)26-21(17-6-5-15(2)19(27)13-17)18-8-7-16-4-3-10-25-22(16)23(18)28;23-20-9-2-1-8-17(20)19(14-16-7-3-4-12-24-16)18-11-10-15-6-5-13-25-21(15)22(18)26;1-14-7-10-23-17(12-14)13-19(22-15(2)8-11-26-22)18-6-5-16-4-3-9-24-20(16)21(18)25/h3-13,15,20,28H,2,14H2,1H3;3-11,13-14,20,28H,12H2,1-2H3;2-13,21,30H,14H2,1H3;3-13,21,27-28H,1-2H3,(H,24,26);1-13,19,26H,14H2;3-12,19,25H,13H2,1-2H3.
What are the key properties of 5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol has a molecular weight of 2294.98 g/mol, XLogP of 33.39, 26 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[1-(2-chlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol;7-[(3-hydroxy-4-methylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol;7-[2-(4-methyl-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 161150689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).