2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine

C16H17F3N2O2 — CID 133402379

IUPAC2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine
SMILESCOCC1CN(c2ccnc3cc(C(F)(F)F)ccc23)CCO1
InChIInChI=1S/C16H17F3N2O2/c1-22-10-12-9-21(6-7-23-12)15-4-5-20-14-8-11(16(17,18)19)2-3-13(14)15/h2-5,8,12H,6-7,9-10H2,1H3
InChIKeyBGQLJMZDCCYUEJ-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.11
Rot. Bonds3

About 2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine

2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine (PubChem CID 133402379) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine
PubChem CID133402379
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine
SMILESCOCC1CN(c2ccnc3cc(C(F)(F)F)ccc23)CCO1
InChIInChI=1S/C16H17F3N2O2/c1-22-10-12-9-21(6-7-23-12)15-4-5-20-14-8-11(16(17,18)19)2-3-13(14)15/h2-5,8,12H,6-7,9-10H2,1H3
InChIKeyBGQLJMZDCCYUEJ-UHFFFAOYSA-N
XLogP3.11
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine?
The IUPAC name of 2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine (CID 133402379) is 2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine.
What is the SMILES notation for 2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine?
The canonical SMILES for 2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine is COCC1CN(c2ccnc3cc(C(F)(F)F)ccc23)CCO1.
What is the InChIKey of 2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine?
The InChIKey is BGQLJMZDCCYUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-22-10-12-9-21(6-7-23-12)15-4-5-20-14-8-11(16(17,18)19)2-3-13(14)15/h2-5,8,12H,6-7,9-10H2,1H3.
What are the key properties of 2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine?
2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine has a molecular weight of 326.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine is sourced from PubChem (CID 133402379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).