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

C24H17ClF4N2O — CID 58542659

IUPAC7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCc1cc(CC(c2ccc(C(F)(F)F)cc2F)c2ccc3cccnc3c2O)ncc1Cl
InChIInChI=1S/C24H17ClF4N2O/c1-13-9-16(31-12-20(13)25)11-19(17-7-5-15(10-21(17)26)24(27,28)29)18-6-4-14-3-2-8-30-22(14)23(18)32/h2-10,12,19,32H,11H2,1H3
InChIKeyYOUUWJFYHAMDMB-UHFFFAOYSA-N
MW460.86 g/mol
LogP6.83
Rot. Bonds4

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

7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (PubChem CID 58542659) has the molecular formula C24H17ClF4N2O and a molecular weight of 460.86 g/mol. Its IUPAC name is 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
PubChem CID58542659
Molecular FormulaC24H17ClF4N2O
Molecular Weight460.86 g/mol
Exact Mass460.10
IUPAC Name7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESCc1cc(CC(c2ccc(C(F)(F)F)cc2F)c2ccc3cccnc3c2O)ncc1Cl
InChIInChI=1S/C24H17ClF4N2O/c1-13-9-16(31-12-20(13)25)11-19(17-7-5-15(10-21(17)26)24(27,28)29)18-6-4-14-3-2-8-30-22(14)23(18)32/h2-10,12,19,32H,11H2,1H3
InChIKeyYOUUWJFYHAMDMB-UHFFFAOYSA-N
XLogP6.83
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.86
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The IUPAC name of 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (CID 58542659) is 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The canonical SMILES for 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is Cc1cc(CC(c2ccc(C(F)(F)F)cc2F)c2ccc3cccnc3c2O)ncc1Cl.
What is the InChIKey of 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The InChIKey is YOUUWJFYHAMDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF4N2O/c1-13-9-16(31-12-20(13)25)11-19(17-7-5-15(10-21(17)26)24(27,28)29)18-6-4-14-3-2-8-30-22(14)23(18)32/h2-10,12,19,32H,11H2,1H3.
What are the key properties of 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol has a molecular weight of 460.86 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 58542659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).