8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine

C20H13F3N4O — CID 16747960

IUPAC8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine
SMILESNc1ccc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)14-7-4-12(5-8-14)15-10-18(26-11-25-15)28-16-3-1-2-13-6-9-17(24)27-19(13)16/h1-11H,(H2,24,27)
InChIKeyXEBBMEXBEQLSSM-UHFFFAOYSA-N
MW382.35 g/mol
LogP5.09
Rot. Bonds3

About 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine

8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine (PubChem CID 16747960) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine.

Molecular Properties

Compound Name8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine
PubChem CID16747960
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine
SMILESNc1ccc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)14-7-4-12(5-8-14)15-10-18(26-11-25-15)28-16-3-1-2-13-6-9-17(24)27-19(13)16/h1-11H,(H2,24,27)
InChIKeyXEBBMEXBEQLSSM-UHFFFAOYSA-N
XLogP5.09
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.35
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine?
The IUPAC name of 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine (CID 16747960) is 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine.
What is the SMILES notation for 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine?
The canonical SMILES for 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine is Nc1ccc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1.
What is the InChIKey of 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine?
The InChIKey is XEBBMEXBEQLSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c21-20(22,23)14-7-4-12(5-8-14)15-10-18(26-11-25-15)28-16-3-1-2-13-6-9-17(24)27-19(13)16/h1-11H,(H2,24,27).
What are the key properties of 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine?
8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine has a molecular weight of 382.35 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine is sourced from PubChem (CID 16747960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).