7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline

C26H16F3N3O — CID 10478571

IUPAC7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline
SMILESFC(F)(F)c1ccc(-c2cc(Oc3ccc4cccnc4c3)ncn2)c(-c2ccccc2)c1
InChIInChI=1S/C26H16F3N3O/c27-26(28,29)19-9-11-21(22(13-19)17-5-2-1-3-6-17)24-15-25(32-16-31-24)33-20-10-8-18-7-4-12-30-23(18)14-20/h1-16H
InChIKeyHHAFXYGQOLNOPO-UHFFFAOYSA-N
MW443.43 g/mol
LogP7.17
Rot. Bonds4

About 7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline

7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline (PubChem CID 10478571) has the molecular formula C26H16F3N3O and a molecular weight of 443.43 g/mol. Its IUPAC name is 7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline.

Molecular Properties

Compound Name7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline
PubChem CID10478571
Molecular FormulaC26H16F3N3O
Molecular Weight443.43 g/mol
Exact Mass443.12
IUPAC Name7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline
SMILESFC(F)(F)c1ccc(-c2cc(Oc3ccc4cccnc4c3)ncn2)c(-c2ccccc2)c1
InChIInChI=1S/C26H16F3N3O/c27-26(28,29)19-9-11-21(22(13-19)17-5-2-1-3-6-17)24-15-25(32-16-31-24)33-20-10-8-18-7-4-12-30-23(18)14-20/h1-16H
InChIKeyHHAFXYGQOLNOPO-UHFFFAOYSA-N
XLogP7.17
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.43
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
The IUPAC name of 7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline (CID 10478571) is 7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline.
What is the SMILES notation for 7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
The canonical SMILES for 7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline is FC(F)(F)c1ccc(-c2cc(Oc3ccc4cccnc4c3)ncn2)c(-c2ccccc2)c1.
What is the InChIKey of 7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
The InChIKey is HHAFXYGQOLNOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F3N3O/c27-26(28,29)19-9-11-21(22(13-19)17-5-2-1-3-6-17)24-15-25(32-16-31-24)33-20-10-8-18-7-4-12-30-23(18)14-20/h1-16H.
What are the key properties of 7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline?
7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline has a molecular weight of 443.43 g/mol, XLogP of 7.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[2-phenyl-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline is sourced from PubChem (CID 10478571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).