7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol

C71H53Cl2F9N6O3 — CID 158890968

IUPAC7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCc1cc(Cl)cnc1CC(c1ccc(C(F)(F)F)cc1)c1ccc2cccnc2c1O.Cc1cccc(CC(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)n1.Oc1c(C(Cc2ccc(Cl)cn2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12
InChIInChI=1S/C24H18ClF3N2O.C24H19F3N2O.C23H16ClF3N2O/c1-14-11-18(25)13-30-21(14)12-20(15-4-7-17(8-5-15)24(26,27)28)19-9-6-16-3-2-10-29-22(16)23(19)31;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;24-17-8-9-18(29-13-17)12-20(14-3-6-16(7-4-14)23(25,26)27)19-10-5-15-2-1-11-28-21(15)22(19)30/h2-11,13,20,31H,12H2,1H3;2-13,21,30H,14H2,1H3;1-11,13,20,30H,12H2
InChIKeyJEFQNGQMVNRIKP-UHFFFAOYSA-N
MW1280.13 g/mol
LogP19.11
Rot. Bonds12

About 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol

7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (PubChem CID 158890968) has the molecular formula C71H53Cl2F9N6O3 and a molecular weight of 1280.13 g/mol. Its IUPAC name is 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
PubChem CID158890968
Molecular FormulaC71H53Cl2F9N6O3
Molecular Weight1280.13 g/mol
Exact Mass1278.34
IUPAC Name7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCc1cc(Cl)cnc1CC(c1ccc(C(F)(F)F)cc1)c1ccc2cccnc2c1O.Cc1cccc(CC(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)n1.Oc1c(C(Cc2ccc(Cl)cn2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12
InChIInChI=1S/C24H18ClF3N2O.C24H19F3N2O.C23H16ClF3N2O/c1-14-11-18(25)13-30-21(14)12-20(15-4-7-17(8-5-15)24(26,27)28)19-9-6-16-3-2-10-29-22(16)23(19)31;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;24-17-8-9-18(29-13-17)12-20(14-3-6-16(7-4-14)23(25,26)27)19-10-5-15-2-1-11-28-21(15)22(19)30/h2-11,13,20,31H,12H2,1H3;2-13,21,30H,14H2,1H3;1-11,13,20,30H,12H2
InChIKeyJEFQNGQMVNRIKP-UHFFFAOYSA-N
XLogP19.11
TPSA138.03 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001280.13
LogP ≤ 519.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]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 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The IUPAC name of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (CID 158890968) is 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The canonical SMILES for 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is Cc1cc(Cl)cnc1CC(c1ccc(C(F)(F)F)cc1)c1ccc2cccnc2c1O.Cc1cccc(CC(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)n1.Oc1c(C(Cc2ccc(Cl)cn2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12.
What is the InChIKey of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The InChIKey is JEFQNGQMVNRIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N2O.C24H19F3N2O.C23H16ClF3N2O/c1-14-11-18(25)13-30-21(14)12-20(15-4-7-17(8-5-15)24(26,27)28)19-9-6-16-3-2-10-29-22(16)23(19)31;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;24-17-8-9-18(29-13-17)12-20(14-3-6-16(7-4-14)23(25,26)27)19-10-5-15-2-1-11-28-21(15)22(19)30/h2-11,13,20,31H,12H2,1H3;2-13,21,30H,14H2,1H3;1-11,13,20,30H,12H2.
What are the key properties of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol has a molecular weight of 1280.13 g/mol, XLogP of 19.11, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(5-chloro-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol;7-[2-(6-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 158890968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).