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

C23H18F3N3O — CID 3386822

IUPAC2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3cccc(C(F)(F)F)c3)c3cccnc3)c(O)c2n1
InChIInChI=1S/C23H18F3N3O/c1-14-7-8-15-9-10-19(22(30)21(15)28-14)20(16-4-3-11-27-13-16)29-18-6-2-5-17(12-18)23(24,25)26/h2-13,20,29-30H,1H3
InChIKeySQRMMLZBFZELJU-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.86
Rot. Bonds4

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

2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol (PubChem CID 3386822) has the molecular formula C23H18F3N3O and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
PubChem CID3386822
Molecular FormulaC23H18F3N3O
Molecular Weight409.41 g/mol
Exact Mass409.14
IUPAC Name2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3cccc(C(F)(F)F)c3)c3cccnc3)c(O)c2n1
InChIInChI=1S/C23H18F3N3O/c1-14-7-8-15-9-10-19(22(30)21(15)28-14)20(16-4-3-11-27-13-16)29-18-6-2-5-17(12-18)23(24,25)26/h2-13,20,29-30H,1H3
InChIKeySQRMMLZBFZELJU-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-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232901
2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232813
7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
CID 19233228
7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
CID 19232846
7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3056881
7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232932
2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[pyridin-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol;7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 157167249
7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 703326
7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol
CID 19233281
7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1020375
7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 2944009
7-[anilino-(2,4-dimethylphenyl)methyl]-2-methylquinolin-8-ol;2,2,2-trifluoroacetic acid
CID 53383539

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The IUPAC name of 2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol (CID 3386822) is 2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol.
What is the SMILES notation for 2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The canonical SMILES for 2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol is Cc1ccc2ccc(C(Nc3cccc(C(F)(F)F)c3)c3cccnc3)c(O)c2n1.
What is the InChIKey of 2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
The InChIKey is SQRMMLZBFZELJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O/c1-14-7-8-15-9-10-19(22(30)21(15)28-14)20(16-4-3-11-27-13-16)29-18-6-2-5-17(12-18)23(24,25)26/h2-13,20,29-30H,1H3.
What are the key properties of 2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol?
2-methyl-7-[pyridin-3-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-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol is sourced from PubChem (CID 3386822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).