2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline

C20H12F3N3O — CID 10406635

IUPAC2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline
SMILESFC(F)(F)c1ccc(-c2cc(Oc3ccc4ccccc4n3)ncn2)cc1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)15-8-5-14(6-9-15)17-11-19(25-12-24-17)27-18-10-7-13-3-1-2-4-16(13)26-18/h1-12H
InChIKeyXTVGLEJJISKRJQ-UHFFFAOYSA-N
MW367.33 g/mol
LogP5.50
Rot. Bonds3

About 2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline

2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline (PubChem CID 10406635) has the molecular formula C20H12F3N3O and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline.

Molecular Properties

Compound Name2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline
PubChem CID10406635
Molecular FormulaC20H12F3N3O
Molecular Weight367.33 g/mol
Exact Mass367.09
IUPAC Name2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline
SMILESFC(F)(F)c1ccc(-c2cc(Oc3ccc4ccccc4n3)ncn2)cc1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)15-8-5-14(6-9-15)17-11-19(25-12-24-17)27-18-10-7-13-3-1-2-4-16(13)26-18/h1-12H
InChIKeyXTVGLEJJISKRJQ-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 2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
The IUPAC name of 2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline (CID 10406635) is 2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline.
What is the SMILES notation for 2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
The canonical SMILES for 2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline is FC(F)(F)c1ccc(-c2cc(Oc3ccc4ccccc4n3)ncn2)cc1.
What is the InChIKey of 2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
The InChIKey is XTVGLEJJISKRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O/c21-20(22,23)15-8-5-14(6-9-15)17-11-19(25-12-24-17)27-18-10-7-13-3-1-2-4-16(13)26-18/h1-12H.
What are the key properties of 2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
2-[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 2-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline is sourced from PubChem (CID 10406635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).