5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol

C17H13F3N2O — CID 1090309

IUPAC5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESOc1ccc(CNc2cccc(C(F)(F)F)c2)c2cccnc12
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)12-3-1-4-13(9-12)22-10-11-6-7-15(23)16-14(11)5-2-8-21-16/h1-9,22-23H,10H2
InChIKeyHWNPIGIJVNLLIF-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.57
Rot. Bonds3

About 5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol

5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol (PubChem CID 1090309) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
PubChem CID1090309
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESOc1ccc(CNc2cccc(C(F)(F)F)c2)c2cccnc12
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)12-3-1-4-13(9-12)22-10-11-6-7-15(23)16-14(11)5-2-8-21-16/h1-9,22-23H,10H2
InChIKeyHWNPIGIJVNLLIF-UHFFFAOYSA-N
XLogP4.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The IUPAC name of 5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol (CID 1090309) is 5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol is Oc1ccc(CNc2cccc(C(F)(F)F)c2)c2cccnc12.
What is the InChIKey of 5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The InChIKey is HWNPIGIJVNLLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)12-3-1-4-13(9-12)22-10-11-6-7-15(23)16-14(11)5-2-8-21-16/h1-9,22-23H,10H2.
What are the key properties of 5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol has a molecular weight of 318.30 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol is sourced from PubChem (CID 1090309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).