5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol

C117H98Cl2F6N10O7S — CID 158571183

IUPAC5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCCOc1ccc(C(Cc2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1.Cc1ccc(C)c(C(Cc2cccnc2)c2cc(Cl)c3cccnc3c2O)c1.Cc1cccc(CC(c2ccc(OC(F)(F)F)cc2)c2ccc3cccnc3c2O)n1.Cc1ccnc(CC(c2ccc3cccnc3c2O)c2sccc2C)c1.Oc1c(C(Cc2cccnc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12
InChIInChI=1S/C24H21ClN2O2.C24H21ClN2O.C24H19F3N2O2.C23H17F3N2O.C22H20N2OS/c1-2-29-18-9-7-17(8-10-18)20(13-16-5-3-11-26-15-16)21-14-22(25)19-6-4-12-27-23(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;1-15-4-2-6-18(29-15)14-21(16-7-10-19(11-8-16)31-24(25,26)27)20-12-9-17-5-3-13-28-22(17)23(20)30;24-23(25,26)18-8-5-16(6-9-18)20(13-15-3-1-11-27-14-15)19-10-7-17-4-2-12-28-21(17)22(19)29;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/h3-12,14-15,20,28H,2,13H2,1H3;3-11,13-14,20,28H,12H2,1-2H3;2-13,21,30H,14H2,1H3;1-12,14,20,29H,13H2;3-12,19,25H,13H2,1-2H3
InChIKeyHSCFEZPNLXXCPO-UHFFFAOYSA-N
MW1973.09 g/mol
LogP28.78
Rot. Bonds23

About 5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-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-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (PubChem CID 158571183) has the molecular formula C117H98Cl2F6N10O7S and a molecular weight of 1973.09 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-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-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-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
PubChem CID158571183
Molecular FormulaC117H98Cl2F6N10O7S
Molecular Weight1973.09 g/mol
Exact Mass1970.66
IUPAC Name5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCCOc1ccc(C(Cc2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1.Cc1ccc(C)c(C(Cc2cccnc2)c2cc(Cl)c3cccnc3c2O)c1.Cc1cccc(CC(c2ccc(OC(F)(F)F)cc2)c2ccc3cccnc3c2O)n1.Cc1ccnc(CC(c2ccc3cccnc3c2O)c2sccc2C)c1.Oc1c(C(Cc2cccnc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12
InChIInChI=1S/C24H21ClN2O2.C24H21ClN2O.C24H19F3N2O2.C23H17F3N2O.C22H20N2OS/c1-2-29-18-9-7-17(8-10-18)20(13-16-5-3-11-26-15-16)21-14-22(25)19-6-4-12-27-23(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;1-15-4-2-6-18(29-15)14-21(16-7-10-19(11-8-16)31-24(25,26)27)20-12-9-17-5-3-13-28-22(17)23(20)30;24-23(25,26)18-8-5-16(6-9-18)20(13-15-3-1-11-27-14-15)19-10-7-17-4-2-12-28-21(17)22(19)29;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/h3-12,14-15,20,28H,2,13H2,1H3;3-11,13-14,20,28H,12H2,1-2H3;2-13,21,30H,14H2,1H3;1-12,14,20,29H,13H2;3-12,19,25H,13H2,1-2H3
InChIKeyHSCFEZPNLXXCPO-UHFFFAOYSA-N
XLogP28.78
TPSA248.51 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001973.09
LogP ≤ 528.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-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-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-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-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (CID 158571183) is 5-chloro-7-[1-(2,5-dimethylphenyl)-2-pyridin-3-ylethyl]quinolin-8-ol;5-chloro-7-[1-(4-ethoxyphenyl)-2-pyridin-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-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-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-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-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is CCOc1ccc(C(Cc2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1.Cc1ccc(C)c(C(Cc2cccnc2)c2cc(Cl)c3cccnc3c2O)c1.Cc1cccc(CC(c2ccc(OC(F)(F)F)cc2)c2ccc3cccnc3c2O)n1.Cc1ccnc(CC(c2ccc3cccnc3c2O)c2sccc2C)c1.Oc1c(C(Cc2cccnc2)c2ccc(C(F)(F)F)cc2)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-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The InChIKey is HSCFEZPNLXXCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2.C24H21ClN2O.C24H19F3N2O2.C23H17F3N2O.C22H20N2OS/c1-2-29-18-9-7-17(8-10-18)20(13-16-5-3-11-26-15-16)21-14-22(25)19-6-4-12-27-23(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;1-15-4-2-6-18(29-15)14-21(16-7-10-19(11-8-16)31-24(25,26)27)20-12-9-17-5-3-13-28-22(17)23(20)30;24-23(25,26)18-8-5-16(6-9-18)20(13-15-3-1-11-27-14-15)19-10-7-17-4-2-12-28-21(17)22(19)29;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/h3-12,14-15,20,28H,2,13H2,1H3;3-11,13-14,20,28H,12H2,1-2H3;2-13,21,30H,14H2,1H3;1-12,14,20,29H,13H2;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-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-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-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol has a molecular weight of 1973.09 g/mol, XLogP of 28.78, 23 rotatable bonds, 5 hydrogen bond donors, and 18 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-3-ylethyl]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-(trifluoromethoxy)phenyl]ethyl]quinolin-8-ol;7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 158571183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).