2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline

C15H10F3N3O2 — CID 167743039

IUPAC2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline
SMILESFC(F)(F)Oc1ccc2nc(OCc3ccncn3)ccc2c1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)23-12-2-3-13-10(7-12)1-4-14(21-13)22-8-11-5-6-19-9-20-11/h1-7,9H,8H2
InChIKeyMFSONMZPLWXCDJ-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.50
Rot. Bonds4

About 2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline

2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline (PubChem CID 167743039) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline.

Molecular Properties

Compound Name2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline
PubChem CID167743039
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline
SMILESFC(F)(F)Oc1ccc2nc(OCc3ccncn3)ccc2c1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)23-12-2-3-13-10(7-12)1-4-14(21-13)22-8-11-5-6-19-9-20-11/h1-7,9H,8H2
InChIKeyMFSONMZPLWXCDJ-UHFFFAOYSA-N
XLogP3.50
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[[6-(trifluoromethoxy)quinolin-2-yl]oxymethyl]-1,3,4-oxadiazole
CID 167796668
2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 70874823
4-[(4-methylphenoxy)methyl]pyrimidine
CID 70843199
[3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine
CID 82245488
3-ethyl-6-(trifluoromethoxy)quinoline
CID 163899089
2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline
CID 142873912
7-(trifluoromethoxy)quinoline-3-carbonitrile
CID 143333588
N-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine
CID 68759601
2-bromo-6-(trifluoromethoxy)naphthalene
CID 57429270
N-[(1R,2R)-2-hydroxycyclohexyl]-5-(pyrimidin-4-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 68837850
6-(trifluoromethoxy)quinazolin-4-amine
CID 156900146
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]methanamine
CID 162561361

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline?
The IUPAC name of 2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline (CID 167743039) is 2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline.
What is the SMILES notation for 2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline?
The canonical SMILES for 2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline is FC(F)(F)Oc1ccc2nc(OCc3ccncn3)ccc2c1.
What is the InChIKey of 2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline?
The InChIKey is MFSONMZPLWXCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)23-12-2-3-13-10(7-12)1-4-14(21-13)22-8-11-5-6-19-9-20-11/h1-7,9H,8H2.
What are the key properties of 2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline?
2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline has a molecular weight of 321.26 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-4-ylmethoxy)-6-(trifluoromethoxy)quinoline is sourced from PubChem (CID 167743039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).