7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol

C23H16F4N2O — CID 58542661

IUPAC7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol
SMILESOc1c(C(Cc2ccccn2)c2ccc(C(F)(F)F)cc2F)ccc2cccnc12
InChIInChI=1S/C23H16F4N2O/c24-20-12-15(23(25,26)27)7-9-17(20)19(13-16-5-1-2-10-28-16)18-8-6-14-4-3-11-29-21(14)22(18)30/h1-12,19,30H,13H2
InChIKeyREOVBRFTDAURQS-UHFFFAOYSA-N
MW412.39 g/mol
LogP5.87
Rot. Bonds4

About 7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol

7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol (PubChem CID 58542661) has the molecular formula C23H16F4N2O and a molecular weight of 412.39 g/mol. Its IUPAC name is 7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol
PubChem CID58542661
Molecular FormulaC23H16F4N2O
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC Name7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol
SMILESOc1c(C(Cc2ccccn2)c2ccc(C(F)(F)F)cc2F)ccc2cccnc12
InChIInChI=1S/C23H16F4N2O/c24-20-12-15(23(25,26)27)7-9-17(20)19(13-16-5-1-2-10-28-16)18-8-6-14-4-3-11-29-21(14)22(18)30/h1-12,19,30H,13H2
InChIKeyREOVBRFTDAURQS-UHFFFAOYSA-N
XLogP5.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.39
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxyquinoline sulfate
CID 517000
5-Fluoro-8-quinolinol
CID 217907
5-(1-Piperidinylmethyl)-8-quinolinol
CID 279619
7-(Piperidin-1-ylmethyl)quinolin-8-ol
CID 245742
N-((8-hydroxyquinolin-7-yl)(4-isopropylphenyl)methyl)acetamide
CID 2921404
N-[(8-Hydroxy-quinolin-7-yl)-(4-isopropyl-phenyl)-methyl]-butyramide
CID 3136125
4-Methyl-8-hydroxyquinoline
CID 345169
Hla-20
CID 6918819
8-Quinolinol, 7-(4-ethyl-1-methyloctyl)-
CID 166430
5,7-Dimethyl-8-quinolinol
CID 762732
7-((2-Fluorophenyl)(4-methylpyridin-2-ylamino)methyl)quinolin-8-ol
CID 3478212
7-[(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 3384730

Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol?
The IUPAC name of 7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol (CID 58542661) is 7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol.
What is the SMILES notation for 7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol?
The canonical SMILES for 7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol is Oc1c(C(Cc2ccccn2)c2ccc(C(F)(F)F)cc2F)ccc2cccnc12.
What is the InChIKey of 7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol?
The InChIKey is REOVBRFTDAURQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O/c24-20-12-15(23(25,26)27)7-9-17(20)19(13-16-5-1-2-10-28-16)18-8-6-14-4-3-11-29-21(14)22(18)30/h1-12,19,30H,13H2.
What are the key properties of 7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol?
7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol has a molecular weight of 412.39 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]quinolin-8-ol is sourced from PubChem (CID 58542661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).