7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol

C22H16F3N3O — CID 4054926

IUPAC7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESOc1c(C(Nc2cccc(C(F)(F)F)c2)c2cccnc2)ccc2cccnc12
InChIInChI=1S/C22H16F3N3O/c23-22(24,25)16-6-1-7-17(12-16)28-19(15-5-2-10-26-13-15)18-9-8-14-4-3-11-27-20(14)21(18)29/h1-13,19,28-29H
InChIKeyNTRQPBDEAJTKJM-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.56
Rot. Bonds4

About 7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol

7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol (PubChem CID 4054926) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is 7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
PubChem CID4054926
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESOc1c(C(Nc2cccc(C(F)(F)F)c2)c2cccnc2)ccc2cccnc12
InChIInChI=1S/C22H16F3N3O/c23-22(24,25)16-6-1-7-17(12-16)28-19(15-5-2-10-26-13-15)18-9-8-14-4-3-11-27-20(14)21(18)29/h1-13,19,28-29H
InChIKeyNTRQPBDEAJTKJM-UHFFFAOYSA-N
XLogP5.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 7-[pyridin-3-yl-[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 7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The IUPAC name of 7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol (CID 4054926) is 7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol is Oc1c(C(Nc2cccc(C(F)(F)F)c2)c2cccnc2)ccc2cccnc12.
What is the InChIKey of 7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The InChIKey is NTRQPBDEAJTKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c23-22(24,25)16-6-1-7-17(12-16)28-19(15-5-2-10-26-13-15)18-9-8-14-4-3-11-27-20(14)21(18)29/h1-13,19,28-29H.
What are the key properties of 7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol has a molecular weight of 395.38 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol is sourced from PubChem (CID 4054926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).