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

C23H17F3N2O — CID 58542996

IUPAC7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESOc1c(C(Cc2cccnc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12
InChIInChI=1S/C23H17F3N2O/c24-23(25,26)18-8-5-16(6-9-18)20(13-15-3-1-11-27-14-15)19-10-7-17-4-2-12-28-21(17)22(19)29/h1-12,14,20,29H,13H2
InChIKeySFXNSOJGZBSNEJ-UHFFFAOYSA-N
MW394.40 g/mol
LogP5.73
Rot. Bonds4

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

7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (PubChem CID 58542996) has the molecular formula C23H17F3N2O and a molecular weight of 394.40 g/mol. Its IUPAC name is 7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
PubChem CID58542996
Molecular FormulaC23H17F3N2O
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC Name7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESOc1c(C(Cc2cccnc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12
InChIInChI=1S/C23H17F3N2O/c24-23(25,26)18-8-5-16(6-9-18)20(13-15-3-1-11-27-14-15)19-10-7-17-4-2-12-28-21(17)22(19)29/h1-12,14,20,29H,13H2
InChIKeySFXNSOJGZBSNEJ-UHFFFAOYSA-N
XLogP5.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.40
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Hydroxyquinoline
CID 1923
Oxine-copper
CID 3032555
Hydroxyquinoline sulfate
CID 517000
5-Methyl-8-hydroxyquinoline
CID 71208
Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Khinozol
CID 8639
Mls002637543
CID 219563
5-Fluoro-8-quinolinol
CID 217907
5-(1-Piperidinylmethyl)-8-quinolinol
CID 279619
5-Bromo-7-(1-piperidinylmethyl)-8-quinolinol
CID 678099
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide
CID 3129244
Indium In-111 Oxyquinoline
CID 119117

Frequently Asked Questions

What is the IUPAC name of 7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The IUPAC name of 7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (CID 58542996) is 7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The canonical SMILES for 7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is Oc1c(C(Cc2cccnc2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12.
What is the InChIKey of 7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The InChIKey is SFXNSOJGZBSNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O/c24-23(25,26)18-8-5-16(6-9-18)20(13-15-3-1-11-27-14-15)19-10-7-17-4-2-12-28-21(17)22(19)29/h1-12,14,20,29H,13H2.
What are the key properties of 7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol has a molecular weight of 394.40 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 58542996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).