7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline

C20H12F3N3O — CID 11646332

IUPAC7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline
SMILESFC(F)(F)c1ccc(Oc2cc(-c3ccc4cccnc4c3)ncn2)cc1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)15-5-7-16(8-6-15)27-19-11-18(25-12-26-19)14-4-3-13-2-1-9-24-17(13)10-14/h1-12H
InChIKeyNGWLMLPLFBDFKF-UHFFFAOYSA-N
MW367.33 g/mol
LogP5.50
Rot. Bonds3

About 7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline

7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline (PubChem CID 11646332) has the molecular formula C20H12F3N3O and a molecular weight of 367.33 g/mol. Its IUPAC name is 7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline.

Molecular Properties

Compound Name7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline
PubChem CID11646332
Molecular FormulaC20H12F3N3O
Molecular Weight367.33 g/mol
Exact Mass367.09
IUPAC Name7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline
SMILESFC(F)(F)c1ccc(Oc2cc(-c3ccc4cccnc4c3)ncn2)cc1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)15-5-7-16(8-6-15)27-19-11-18(25-12-26-19)14-4-3-13-2-1-9-24-17(13)10-14/h1-12H
InChIKeyNGWLMLPLFBDFKF-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 7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline?
The IUPAC name of 7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline (CID 11646332) is 7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline.
What is the SMILES notation for 7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline?
The canonical SMILES for 7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline is FC(F)(F)c1ccc(Oc2cc(-c3ccc4cccnc4c3)ncn2)cc1.
What is the InChIKey of 7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline?
The InChIKey is NGWLMLPLFBDFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O/c21-20(22,23)15-5-7-16(8-6-15)27-19-11-18(25-12-26-19)14-4-3-13-2-1-9-24-17(13)10-14/h1-12H.
What are the key properties of 7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline?
7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline 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 7-[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]quinoline is sourced from PubChem (CID 11646332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).