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

C23H17F3N2O — CID 3056881

IUPAC7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESOc1c(C(Nc2cccc(C(F)(F)F)c2)c2ccccc2)ccc2cccnc12
InChIInChI=1S/C23H17F3N2O/c24-23(25,26)17-9-4-10-18(14-17)28-20(15-6-2-1-3-7-15)19-12-11-16-8-5-13-27-21(16)22(19)29/h1-14,20,28-29H
InChIKeyIJZDMEIVMCUWQV-UHFFFAOYSA-N
MW394.40 g/mol
LogP6.16
Rot. Bonds4

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

7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol (PubChem CID 3056881) has the molecular formula C23H17F3N2O and a molecular weight of 394.40 g/mol. Its IUPAC name is 7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
PubChem CID3056881
Molecular FormulaC23H17F3N2O
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC Name7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESOc1c(C(Nc2cccc(C(F)(F)F)c2)c2ccccc2)ccc2cccnc12
InChIInChI=1S/C23H17F3N2O/c24-23(25,26)17-9-4-10-18(14-17)28-20(15-6-2-1-3-7-15)19-12-11-16-8-5-13-27-21(16)22(19)29/h1-14,20,28-29H
InChIKeyIJZDMEIVMCUWQV-UHFFFAOYSA-N
XLogP6.16
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.40
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[phenyl-[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-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The IUPAC name of 7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol (CID 3056881) is 7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol is Oc1c(C(Nc2cccc(C(F)(F)F)c2)c2ccccc2)ccc2cccnc12.
What is the InChIKey of 7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The InChIKey is IJZDMEIVMCUWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O/c24-23(25,26)17-9-4-10-18(14-17)28-20(15-6-2-1-3-7-15)19-12-11-16-8-5-13-27-21(16)22(19)29/h1-14,20,28-29H.
What are the key properties of 7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol has a molecular weight of 394.40 g/mol, XLogP of 6.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol is sourced from PubChem (CID 3056881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).