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

C24H16F6N2O — CID 58542713

IUPAC7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol
SMILESOc1c(C(Cc2ccc(C(F)(F)F)nc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12
InChIInChI=1S/C24H16F6N2O/c25-23(26,27)17-7-4-15(5-8-17)19(12-14-3-10-20(32-13-14)24(28,29)30)18-9-6-16-2-1-11-31-21(16)22(18)33/h1-11,13,19,33H,12H2
InChIKeyVRPHSNSZYBWVBT-UHFFFAOYSA-N
MW462.39 g/mol
LogP6.75
Rot. Bonds4

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

7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol (PubChem CID 58542713) has the molecular formula C24H16F6N2O and a molecular weight of 462.39 g/mol. Its IUPAC name is 7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol
PubChem CID58542713
Molecular FormulaC24H16F6N2O
Molecular Weight462.39 g/mol
Exact Mass462.12
IUPAC Name7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol
SMILESOc1c(C(Cc2ccc(C(F)(F)F)nc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12
InChIInChI=1S/C24H16F6N2O/c25-23(26,27)17-7-4-15(5-8-17)19(12-14-3-10-20(32-13-14)24(28,29)30)18-9-6-16-2-1-11-31-21(16)22(18)33/h1-11,13,19,33H,12H2
InChIKeyVRPHSNSZYBWVBT-UHFFFAOYSA-N
XLogP6.75
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.39
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol?
The IUPAC name of 7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol (CID 58542713) is 7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol?
The canonical SMILES for 7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol is Oc1c(C(Cc2ccc(C(F)(F)F)nc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12.
What is the InChIKey of 7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol?
The InChIKey is VRPHSNSZYBWVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N2O/c25-23(26,27)17-7-4-15(5-8-17)19(12-14-3-10-20(32-13-14)24(28,29)30)18-9-6-16-2-1-11-31-21(16)22(18)33/h1-11,13,19,33H,12H2.
What are the key properties of 7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol?
7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol has a molecular weight of 462.39 g/mol, XLogP of 6.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 58542713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).