7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol

C23H16F4N2O — CID 19232910

IUPAC7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccc2C(F)(F)F)c2ccc(F)cc2)ccc2cccnc12
InChIInChI=1S/C23H16F4N2O/c24-16-10-7-15(8-11-16)20(29-19-6-2-1-5-18(19)23(25,26)27)17-12-9-14-4-3-13-28-21(14)22(17)30/h1-13,20,29-30H
InChIKeyWPKMUXRHOHMLSZ-UHFFFAOYSA-N
MW412.39 g/mol
LogP6.30
Rot. Bonds4

About 7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol

7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol (PubChem CID 19232910) has the molecular formula C23H16F4N2O and a molecular weight of 412.39 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
PubChem CID19232910
Molecular FormulaC23H16F4N2O
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC Name7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESOc1c(C(Nc2ccccc2C(F)(F)F)c2ccc(F)cc2)ccc2cccnc12
InChIInChI=1S/C23H16F4N2O/c24-16-10-7-15(8-11-16)20(29-19-6-2-1-5-18(19)23(25,26)27)17-12-9-14-4-3-13-28-21(14)22(17)30/h1-13,20,29-30H
InChIKeyWPKMUXRHOHMLSZ-UHFFFAOYSA-N
XLogP6.30
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.39
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232908
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232821
7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol
CID 19233197
7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3056881
7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 4130526
4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146474891
7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol
CID 4130528
methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate
CID 6962939
7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232932

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol (CID 19232910) is 7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol is Oc1c(C(Nc2ccccc2C(F)(F)F)c2ccc(F)cc2)ccc2cccnc12.
What is the InChIKey of 7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The InChIKey is WPKMUXRHOHMLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O/c24-16-10-7-15(8-11-16)20(29-19-6-2-1-5-18(19)23(25,26)27)17-12-9-14-4-3-13-28-21(14)22(17)30/h1-13,20,29-30H.
What are the key properties of 7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol has a molecular weight of 412.39 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol is sourced from PubChem (CID 19232910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).