7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline

C22H15F3N2O2 — CID 167050259

IUPAC7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline
SMILESCOc1ccc2c(C(F)(F)F)cc(Oc3ccccc3-c3ccccn3)nc2c1
InChIInChI=1S/C22H15F3N2O2/c1-28-14-9-10-15-17(22(23,24)25)13-21(27-19(15)12-14)29-20-8-3-2-6-16(20)18-7-4-5-11-26-18/h2-13H,1H3
InChIKeySXSIOKJFGPTDDU-UHFFFAOYSA-N
MW396.37 g/mol
LogP6.12
Rot. Bonds4

About 7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline

7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline (PubChem CID 167050259) has the molecular formula C22H15F3N2O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline
PubChem CID167050259
Molecular FormulaC22H15F3N2O2
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC Name7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline
SMILESCOc1ccc2c(C(F)(F)F)cc(Oc3ccccc3-c3ccccn3)nc2c1
InChIInChI=1S/C22H15F3N2O2/c1-28-14-9-10-15-17(22(23,24)25)13-21(27-19(15)12-14)29-20-8-3-2-6-16(20)18-7-4-5-11-26-18/h2-13H,1H3
InChIKeySXSIOKJFGPTDDU-UHFFFAOYSA-N
XLogP6.12
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline
CID 167050152
2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine
CID 169050230
2-(2-ethynyl-5-methoxyphenyl)pyridine
CID 87144328
2-[3-fluoro-2-(4-methoxyphenyl)phenyl]pyridine
CID 102052636
4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine
CID 134618215
6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090878
4-tert-butyl-7-methoxy-2-phenylquinoline
CID 59716951
2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine
CID 104707642
8-methoxy-2-methyl-5,7-dipyridin-2-ylquinoline
CID 21024858
2-(2-cyclooctyl-4-methoxyphenyl)pyridine
CID 102473912
2,6-dimethoxy-3-pyridin-2-ylpyridine
CID 67608577
(2-pyridin-2-ylphenyl) 2,2,2-trifluoroacetate
CID 102529652

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline?
The IUPAC name of 7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline (CID 167050259) is 7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline?
The canonical SMILES for 7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline is COc1ccc2c(C(F)(F)F)cc(Oc3ccccc3-c3ccccn3)nc2c1.
What is the InChIKey of 7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline?
The InChIKey is SXSIOKJFGPTDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2/c1-28-14-9-10-15-17(22(23,24)25)13-21(27-19(15)12-14)29-20-8-3-2-6-16(20)18-7-4-5-11-26-18/h2-13H,1H3.
What are the key properties of 7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline?
7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline has a molecular weight of 396.37 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(2-pyridin-2-ylphenoxy)-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 167050259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).