7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol

C23H15F5N2O — CID 58542665

IUPAC7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol
SMILESOc1c(C(Cc2ccc(C(F)(F)F)cn2)c2ccc(F)cc2F)ccc2cccnc12
InChIInChI=1S/C23H15F5N2O/c24-15-5-8-17(20(25)10-15)19(11-16-6-4-14(12-30-16)23(26,27)28)18-7-3-13-2-1-9-29-21(13)22(18)31/h1-10,12,19,31H,11H2
InChIKeyACULMAVHJBHENX-UHFFFAOYSA-N
MW430.38 g/mol
LogP6.01
Rot. Bonds4

About 7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol

7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol (PubChem CID 58542665) has the molecular formula C23H15F5N2O and a molecular weight of 430.38 g/mol. Its IUPAC name is 7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol
PubChem CID58542665
Molecular FormulaC23H15F5N2O
Molecular Weight430.38 g/mol
Exact Mass430.11
IUPAC Name7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol
SMILESOc1c(C(Cc2ccc(C(F)(F)F)cn2)c2ccc(F)cc2F)ccc2cccnc12
InChIInChI=1S/C23H15F5N2O/c24-15-5-8-17(20(25)10-15)19(11-16-6-4-14(12-30-16)23(26,27)28)18-7-3-13-2-1-9-29-21(13)22(18)31/h1-10,12,19,31H,11H2
InChIKeyACULMAVHJBHENX-UHFFFAOYSA-N
XLogP6.01
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol?
The IUPAC name of 7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol (CID 58542665) is 7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol?
The canonical SMILES for 7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol is Oc1c(C(Cc2ccc(C(F)(F)F)cn2)c2ccc(F)cc2F)ccc2cccnc12.
What is the InChIKey of 7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol?
The InChIKey is ACULMAVHJBHENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F5N2O/c24-15-5-8-17(20(25)10-15)19(11-16-6-4-14(12-30-16)23(26,27)28)18-7-3-13-2-1-9-29-21(13)22(18)31/h1-10,12,19,31H,11H2.
What are the key properties of 7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol?
7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol has a molecular weight of 430.38 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2,4-difluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 58542665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).