7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol

C115H78Cl11F11N10O5 — CID 158192065

IUPAC7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol
SMILESCc1cc(CC(c2ccc(C(F)(F)F)cc2C(F)(F)F)c2ccc3cccnc3c2O)ncc1Cl.Cc1cc(CC(c2ccc3cccnc3c2O)c2c(Cl)cccc2Cl)ncc1F.Cc1cc(Cl)cnc1CC(c1ccc(F)cc1Cl)c1ccc2cccnc2c1O.Oc1c(C(Cc2cc(Cl)c(Cl)cn2)c2ccc(F)cc2Cl)ccc2cccnc12.Oc1c(C(Cc2ncc(F)cc2F)c2cc(Cl)cc(Cl)c2Cl)ccc2cccnc12
InChIInChI=1S/C25H17ClF6N2O.2C23H17Cl2FN2O.C22H13Cl3F2N2O.C22H14Cl3FN2O/c1-13-9-16(34-12-21(13)26)11-19(18-6-4-14-3-2-8-33-22(14)23(18)35)17-7-5-15(24(27,28)29)10-20(17)25(30,31)32;1-13-10-15(28-12-20(13)26)11-17(21-18(24)5-2-6-19(21)25)16-8-7-14-4-3-9-27-22(14)23(16)29;1-13-9-15(24)12-28-21(13)11-19(17-7-5-16(26)10-20(17)25)18-6-4-14-3-2-8-27-22(14)23(18)29;23-12-6-16(20(25)17(24)7-12)15(9-19-18(27)8-13(26)10-29-19)14-4-3-11-2-1-5-28-21(11)22(14)30;23-18-8-13(26)4-6-15(18)17(9-14-10-19(24)20(25)11-28-14)16-5-3-12-2-1-7-27-21(12)22(16)29/h2-10,12,19,35H,11H2,1H3;2-10,12,17,29H,11H2,1H3;2-10,12,19,29H,11H2,1H3;1-8,10,15,30H,9H2;1-8,10-11,17,29H,9H2
InChIKeyFZWNOJRKIZVNFU-UHFFFAOYSA-N
MW2278.91 g/mol
LogP34.40
Rot. Bonds20

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

7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol (PubChem CID 158192065) has the molecular formula C115H78Cl11F11N10O5 and a molecular weight of 2278.91 g/mol. Its IUPAC name is 7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol
PubChem CID158192065
Molecular FormulaC115H78Cl11F11N10O5
Molecular Weight2278.91 g/mol
Exact Mass2272.26
IUPAC Name7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol
SMILESCc1cc(CC(c2ccc(C(F)(F)F)cc2C(F)(F)F)c2ccc3cccnc3c2O)ncc1Cl.Cc1cc(CC(c2ccc3cccnc3c2O)c2c(Cl)cccc2Cl)ncc1F.Cc1cc(Cl)cnc1CC(c1ccc(F)cc1Cl)c1ccc2cccnc2c1O.Oc1c(C(Cc2cc(Cl)c(Cl)cn2)c2ccc(F)cc2Cl)ccc2cccnc12.Oc1c(C(Cc2ncc(F)cc2F)c2cc(Cl)cc(Cl)c2Cl)ccc2cccnc12
InChIInChI=1S/C25H17ClF6N2O.2C23H17Cl2FN2O.C22H13Cl3F2N2O.C22H14Cl3FN2O/c1-13-9-16(34-12-21(13)26)11-19(18-6-4-14-3-2-8-33-22(14)23(18)35)17-7-5-15(24(27,28)29)10-20(17)25(30,31)32;1-13-10-15(28-12-20(13)26)11-17(21-18(24)5-2-6-19(21)25)16-8-7-14-4-3-9-27-22(14)23(16)29;1-13-9-15(24)12-28-21(13)11-19(17-7-5-16(26)10-20(17)25)18-6-4-14-3-2-8-27-22(14)23(18)29;23-12-6-16(20(25)17(24)7-12)15(9-19-18(27)8-13(26)10-29-19)14-4-3-11-2-1-5-28-21(11)22(14)30;23-18-8-13(26)4-6-15(18)17(9-14-10-19(24)20(25)11-28-14)16-5-3-12-2-1-7-27-21(12)22(16)29/h2-10,12,19,35H,11H2,1H3;2-10,12,17,29H,11H2,1H3;2-10,12,19,29H,11H2,1H3;1-8,10,15,30H,9H2;1-8,10-11,17,29H,9H2
InChIKeyFZWNOJRKIZVNFU-UHFFFAOYSA-N
XLogP34.40
TPSA230.05 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002278.91
LogP ≤ 534.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol?
The IUPAC name of 7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol (CID 158192065) is 7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol?
The canonical SMILES for 7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol is Cc1cc(CC(c2ccc(C(F)(F)F)cc2C(F)(F)F)c2ccc3cccnc3c2O)ncc1Cl.Cc1cc(CC(c2ccc3cccnc3c2O)c2c(Cl)cccc2Cl)ncc1F.Cc1cc(Cl)cnc1CC(c1ccc(F)cc1Cl)c1ccc2cccnc2c1O.Oc1c(C(Cc2cc(Cl)c(Cl)cn2)c2ccc(F)cc2Cl)ccc2cccnc12.Oc1c(C(Cc2ncc(F)cc2F)c2cc(Cl)cc(Cl)c2Cl)ccc2cccnc12.
What is the InChIKey of 7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol?
The InChIKey is FZWNOJRKIZVNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF6N2O.2C23H17Cl2FN2O.C22H13Cl3F2N2O.C22H14Cl3FN2O/c1-13-9-16(34-12-21(13)26)11-19(18-6-4-14-3-2-8-33-22(14)23(18)35)17-7-5-15(24(27,28)29)10-20(17)25(30,31)32;1-13-10-15(28-12-20(13)26)11-17(21-18(24)5-2-6-19(21)25)16-8-7-14-4-3-9-27-22(14)23(16)29;1-13-9-15(24)12-28-21(13)11-19(17-7-5-16(26)10-20(17)25)18-6-4-14-3-2-8-27-22(14)23(18)29;23-12-6-16(20(25)17(24)7-12)15(9-19-18(27)8-13(26)10-29-19)14-4-3-11-2-1-5-28-21(11)22(14)30;23-18-8-13(26)4-6-15(18)17(9-14-10-19(24)20(25)11-28-14)16-5-3-12-2-1-7-27-21(12)22(16)29/h2-10,12,19,35H,11H2,1H3;2-10,12,17,29H,11H2,1H3;2-10,12,19,29H,11H2,1H3;1-8,10,15,30H,9H2;1-8,10-11,17,29H,9H2.
What are the key properties of 7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol?
7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol has a molecular weight of 2278.91 g/mol, XLogP of 34.40, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2,4-bis(trifluoromethyl)phenyl]-2-(5-chloro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(5-chloro-3-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2-chloro-4-fluorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol;7-[1-(2,6-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol;7-[2-(3,5-difluoro-2-pyridinyl)-1-(2,3,5-trichlorophenyl)ethyl]quinolin-8-ol is sourced from PubChem (CID 158192065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).