5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline

C20H12F3N3O — CID 10338944

IUPAC5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline
SMILESFC(F)(F)c1ccc(-c2cc(Oc3cccc4ncccc34)ncn2)cc1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)14-8-6-13(7-9-14)17-11-19(26-12-25-17)27-18-5-1-4-16-15(18)3-2-10-24-16/h1-12H
InChIKeyFDQIQFBTUAZEDG-UHFFFAOYSA-N
MW367.33 g/mol
LogP5.50
Rot. Bonds3

About 5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline

5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline (PubChem CID 10338944) has the molecular formula C20H12F3N3O and a molecular weight of 367.33 g/mol. Its IUPAC name is 5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline.

Molecular Properties

Compound Name5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline
PubChem CID10338944
Molecular FormulaC20H12F3N3O
Molecular Weight367.33 g/mol
Exact Mass367.09
IUPAC Name5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline
SMILESFC(F)(F)c1ccc(-c2cc(Oc3cccc4ncccc34)ncn2)cc1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)14-8-6-13(7-9-14)17-11-19(26-12-25-17)27-18-5-1-4-16-15(18)3-2-10-24-16/h1-12H
InChIKeyFDQIQFBTUAZEDG-UHFFFAOYSA-N
XLogP5.50
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.33
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
The IUPAC name of 5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline (CID 10338944) is 5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline.
What is the SMILES notation for 5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
The canonical SMILES for 5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline is FC(F)(F)c1ccc(-c2cc(Oc3cccc4ncccc34)ncn2)cc1.
What is the InChIKey of 5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
The InChIKey is FDQIQFBTUAZEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O/c21-20(22,23)14-8-6-13(7-9-14)17-11-19(26-12-25-17)27-18-5-1-4-16-15(18)3-2-10-24-16/h1-12H.
What are the key properties of 5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline has a molecular weight of 367.33 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline is sourced from PubChem (CID 10338944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).