4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine

C17H15F3N4O — CID 11660281

IUPAC4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine
SMILESFC(F)(F)c1ccn(-c2cc(N3CCOCC3)nc3ccccc23)n1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)15-5-6-24(22-15)14-11-16(23-7-9-25-10-8-23)21-13-4-2-1-3-12(13)14/h1-6,11H,7-10H2
InChIKeyMEXUHBDXRGKVMH-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.28
Rot. Bonds2

About 4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine

4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine (PubChem CID 11660281) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine
PubChem CID11660281
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine
SMILESFC(F)(F)c1ccn(-c2cc(N3CCOCC3)nc3ccccc23)n1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)15-5-6-24(22-15)14-11-16(23-7-9-25-10-8-23)21-13-4-2-1-3-12(13)14/h1-6,11H,7-10H2
InChIKeyMEXUHBDXRGKVMH-UHFFFAOYSA-N
XLogP3.28
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine?
The IUPAC name of 4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine (CID 11660281) is 4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine?
The canonical SMILES for 4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine is FC(F)(F)c1ccn(-c2cc(N3CCOCC3)nc3ccccc23)n1.
What is the InChIKey of 4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine?
The InChIKey is MEXUHBDXRGKVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c18-17(19,20)15-5-6-24(22-15)14-11-16(23-7-9-25-10-8-23)21-13-4-2-1-3-12(13)14/h1-6,11H,7-10H2.
What are the key properties of 4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine?
4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine has a molecular weight of 348.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine is sourced from PubChem (CID 11660281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).