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

C20H12F3N3O — CID 16748083

IUPAC6-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline
SMILESFC(F)(F)c1ccc(-c2cc(Oc3ccc4ncccc4c3)ncn2)cc1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)15-5-3-13(4-6-15)18-11-19(26-12-25-18)27-16-7-8-17-14(10-16)2-1-9-24-17/h1-12H
InChIKeyTVSCHYRBYCMUIH-UHFFFAOYSA-N
MW367.33 g/mol
LogP5.50
Rot. Bonds3

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

6-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline (PubChem CID 16748083) has the molecular formula C20H12F3N3O and a molecular weight of 367.33 g/mol. Its IUPAC name is 6-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline.

Molecular Properties

Compound Name6-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline
PubChem CID16748083
Molecular FormulaC20H12F3N3O
Molecular Weight367.33 g/mol
Exact Mass367.09
IUPAC Name6-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline
SMILESFC(F)(F)c1ccc(-c2cc(Oc3ccc4ncccc4c3)ncn2)cc1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)15-5-3-13(4-6-15)18-11-19(26-12-25-18)27-16-7-8-17-14(10-16)2-1-9-24-17/h1-12H
InChIKeyTVSCHYRBYCMUIH-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 6-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
The IUPAC name of 6-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline (CID 16748083) is 6-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline.
What is the SMILES notation for 6-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
The canonical SMILES for 6-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline is FC(F)(F)c1ccc(-c2cc(Oc3ccc4ncccc4c3)ncn2)cc1.
What is the InChIKey of 6-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
The InChIKey is TVSCHYRBYCMUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O/c21-20(22,23)15-5-3-13(4-6-15)18-11-19(26-12-25-18)27-16-7-8-17-14(10-16)2-1-9-24-17/h1-12H.
What are the key properties of 6-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
6-[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 6-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline is sourced from PubChem (CID 16748083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).