7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol

C21H15F3N2OS — CID 19232908

IUPAC7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccc2C(F)(F)F)c2cccs2)ccc2cccnc12
InChIInChI=1S/C21H15F3N2OS/c22-21(23,24)15-6-1-2-7-16(15)26-19(17-8-4-12-28-17)14-10-9-13-5-3-11-25-18(13)20(14)27/h1-12,19,26-27H
InChIKeyQGVXKRAUOVTVHJ-UHFFFAOYSA-N
MW400.43 g/mol
LogP6.22
Rot. Bonds4

About 7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol

7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol (PubChem CID 19232908) has the molecular formula C21H15F3N2OS and a molecular weight of 400.43 g/mol. Its IUPAC name is 7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
PubChem CID19232908
Molecular FormulaC21H15F3N2OS
Molecular Weight400.43 g/mol
Exact Mass400.09
IUPAC Name7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccc2C(F)(F)F)c2cccs2)ccc2cccnc12
InChIInChI=1S/C21H15F3N2OS/c22-21(23,24)15-6-1-2-7-16(15)26-19(17-8-4-12-28-17)14-10-9-13-5-3-11-25-18(13)20(14)27/h1-12,19,26-27H
InChIKeyQGVXKRAUOVTVHJ-UHFFFAOYSA-N
XLogP6.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol with MolForge

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Related Compounds

7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232910
7-[(pyridin-1-ium-2-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 3625041
7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 19232874
N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 1084516
1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 67279636
7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 4130526
7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 7453622
2-ethoxyethyl 4-[[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]amino]benzoate
CID 19233065
7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol
CID 4130528
7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3056881
7-[(R)-(5-methylthiophen-2-yl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1228836
7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
CID 3129060

Frequently Asked Questions

What is the IUPAC name of 7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The IUPAC name of 7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol (CID 19232908) is 7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol is Oc1c(C(Nc2ccccc2C(F)(F)F)c2cccs2)ccc2cccnc12.
What is the InChIKey of 7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The InChIKey is QGVXKRAUOVTVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2OS/c22-21(23,24)15-6-1-2-7-16(15)26-19(17-8-4-12-28-17)14-10-9-13-5-3-11-25-18(13)20(14)27/h1-12,19,26-27H.
What are the key properties of 7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol has a molecular weight of 400.43 g/mol, XLogP of 6.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol is sourced from PubChem (CID 19232908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).