4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine

C20H19F3N4O2 — CID 3870875

IUPAC4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine
SMILESFC(F)(F)c1ccnc(OCC2CN(Cc3ccc4ccccc4n3)CCO2)n1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)18-7-8-24-19(26-18)29-13-16-12-27(9-10-28-16)11-15-6-5-14-3-1-2-4-17(14)25-15/h1-8,16H,9-13H2
InChIKeyHFHDDESQDXEXLU-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.32
Rot. Bonds5

About 4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine

4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine (PubChem CID 3870875) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine.

Molecular Properties

Compound Name4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine
PubChem CID3870875
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine
SMILESFC(F)(F)c1ccnc(OCC2CN(Cc3ccc4ccccc4n3)CCO2)n1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)18-7-8-24-19(26-18)29-13-16-12-27(9-10-28-16)11-15-6-5-14-3-1-2-4-17(14)25-15/h1-8,16H,9-13H2
InChIKeyHFHDDESQDXEXLU-UHFFFAOYSA-N
XLogP3.32
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine?
The IUPAC name of 4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine (CID 3870875) is 4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine.
What is the SMILES notation for 4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine?
The canonical SMILES for 4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine is FC(F)(F)c1ccnc(OCC2CN(Cc3ccc4ccccc4n3)CCO2)n1.
What is the InChIKey of 4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine?
The InChIKey is HFHDDESQDXEXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)18-7-8-24-19(26-18)29-13-16-12-27(9-10-28-16)11-15-6-5-14-3-1-2-4-17(14)25-15/h1-8,16H,9-13H2.
What are the key properties of 4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine?
4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine has a molecular weight of 404.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-2-ylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine is sourced from PubChem (CID 3870875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).