2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol

C23H18F3N3O — CID 19232901

IUPAC2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3cccc(C(F)(F)F)c3)c3ccncc3)c(O)c2n1
InChIInChI=1S/C23H18F3N3O/c1-14-5-6-15-7-8-19(22(30)21(15)28-14)20(16-9-11-27-12-10-16)29-18-4-2-3-17(13-18)23(24,25)26/h2-13,20,29-30H,1H3
InChIKeyUQJWRLUMAOYANL-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.86
Rot. Bonds4

About 2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol

2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol (PubChem CID 19232901) has the molecular formula C23H18F3N3O and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
PubChem CID19232901
Molecular FormulaC23H18F3N3O
Molecular Weight409.41 g/mol
Exact Mass409.14
IUPAC Name2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3cccc(C(F)(F)F)c3)c3ccncc3)c(O)c2n1
InChIInChI=1S/C23H18F3N3O/c1-14-5-6-15-7-8-19(22(30)21(15)28-14)20(16-9-11-27-12-10-16)29-18-4-2-3-17(13-18)23(24,25)26/h2-13,20,29-30H,1H3
InChIKeyUQJWRLUMAOYANL-UHFFFAOYSA-N
XLogP5.86
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3386822
7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3056881
7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol
CID 19233281
2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 19233215
7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 19233140
2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232813
7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 2054369
7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
CID 19232846
7-[anilino-(2,4-dimethylphenyl)methyl]-2-methylquinolin-8-ol;2,2,2-trifluoroacetic acid
CID 53383539
7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1347792
7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2056411
methyl 3-[[(8-hydroxy-2-methylquinolin-7-yl)-thiophen-2-ylmethyl]amino]benzoate
CID 19232965

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The IUPAC name of 2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol (CID 19232901) is 2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol.
What is the SMILES notation for 2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The canonical SMILES for 2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol is Cc1ccc2ccc(C(Nc3cccc(C(F)(F)F)c3)c3ccncc3)c(O)c2n1.
What is the InChIKey of 2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The InChIKey is UQJWRLUMAOYANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O/c1-14-5-6-15-7-8-19(22(30)21(15)28-14)20(16-9-11-27-12-10-16)29-18-4-2-3-17(13-18)23(24,25)26/h2-13,20,29-30H,1H3.
What are the key properties of 2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol has a molecular weight of 409.41 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol is sourced from PubChem (CID 19232901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).