4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine

C26H25F3N4O2 — CID 141137730

IUPAC4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine
SMILESFC(F)(F)c1ccc(N2C(c3ccc4cccnc4c3)=CC=NC2OCCN2CCOCC2)cc1
InChIInChI=1S/C26H25F3N4O2/c27-26(28,29)21-5-7-22(8-6-21)33-24(20-4-3-19-2-1-10-30-23(19)18-20)9-11-31-25(33)35-17-14-32-12-15-34-16-13-32/h1-11,18,25H,12-17H2
InChIKeyLVGJXGLMJIPXEV-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.82
Rot. Bonds6

About 4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine

4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine (PubChem CID 141137730) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is 4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine
PubChem CID141137730
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine
SMILESFC(F)(F)c1ccc(N2C(c3ccc4cccnc4c3)=CC=NC2OCCN2CCOCC2)cc1
InChIInChI=1S/C26H25F3N4O2/c27-26(28,29)21-5-7-22(8-6-21)33-24(20-4-3-19-2-1-10-30-23(19)18-20)9-11-31-25(33)35-17-14-32-12-15-34-16-13-32/h1-11,18,25H,12-17H2
InChIKeyLVGJXGLMJIPXEV-UHFFFAOYSA-N
XLogP4.82
TPSA50.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine (CID 141137730) is 4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine is FC(F)(F)c1ccc(N2C(c3ccc4cccnc4c3)=CC=NC2OCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine?
The InChIKey is LVGJXGLMJIPXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c27-26(28,29)21-5-7-22(8-6-21)33-24(20-4-3-19-2-1-10-30-23(19)18-20)9-11-31-25(33)35-17-14-32-12-15-34-16-13-32/h1-11,18,25H,12-17H2.
What are the key properties of 4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine?
4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine has a molecular weight of 482.51 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine is sourced from PubChem (CID 141137730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).