4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol

C22H16F3N3O — CID 25023825

IUPAC4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol
SMILESCc1ccc(O)cc1Nc1cc(C(F)(F)F)nc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C22H16F3N3O/c1-13-2-4-16(29)11-19(13)27-20-12-21(22(23,24)25)28-18-5-3-15(10-17(18)20)14-6-8-26-9-7-14/h2-12,29H,1H3,(H,27,28)
InChIKeyLXYADWSXIFTOHQ-UHFFFAOYSA-N
MW395.38 g/mol
LogP6.07
Rot. Bonds3

About 4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol

4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol (PubChem CID 25023825) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is 4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol
PubChem CID25023825
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol
SMILESCc1ccc(O)cc1Nc1cc(C(F)(F)F)nc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C22H16F3N3O/c1-13-2-4-16(29)11-19(13)27-20-12-21(22(23,24)25)28-18-5-3-15(10-17(18)20)14-6-8-26-9-7-14/h2-12,29H,1H3,(H,27,28)
InChIKeyLXYADWSXIFTOHQ-UHFFFAOYSA-N
XLogP6.07
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol 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 4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol?
The IUPAC name of 4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol (CID 25023825) is 4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol.
What is the SMILES notation for 4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol?
The canonical SMILES for 4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol is Cc1ccc(O)cc1Nc1cc(C(F)(F)F)nc2ccc(-c3ccncc3)cc12.
What is the InChIKey of 4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol?
The InChIKey is LXYADWSXIFTOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c1-13-2-4-16(29)11-19(13)27-20-12-21(22(23,24)25)28-18-5-3-15(10-17(18)20)14-6-8-26-9-7-14/h2-12,29H,1H3,(H,27,28).
What are the key properties of 4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol?
4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol has a molecular weight of 395.38 g/mol, XLogP of 6.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-yl]amino]phenol is sourced from PubChem (CID 25023825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).