4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine

C19H16F3N3O2 — CID 51042468

IUPAC4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine
SMILESFC(F)(F)Oc1ccccc1-c1ccc2ncc(N3CCOCC3)nc2c1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)27-17-4-2-1-3-14(17)13-5-6-15-16(11-13)24-18(12-23-15)25-7-9-26-10-8-25/h1-6,11-12H,7-10H2
InChIKeyVNKLOAXYDGOIJZ-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.03
Rot. Bonds3

About 4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine

4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine (PubChem CID 51042468) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine
PubChem CID51042468
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine
SMILESFC(F)(F)Oc1ccccc1-c1ccc2ncc(N3CCOCC3)nc2c1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)27-17-4-2-1-3-14(17)13-5-6-15-16(11-13)24-18(12-23-15)25-7-9-26-10-8-25/h1-6,11-12H,7-10H2
InChIKeyVNKLOAXYDGOIJZ-UHFFFAOYSA-N
XLogP4.03
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine?
The IUPAC name of 4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine (CID 51042468) is 4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine.
What is the SMILES notation for 4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine?
The canonical SMILES for 4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine is FC(F)(F)Oc1ccccc1-c1ccc2ncc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine?
The InChIKey is VNKLOAXYDGOIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)27-17-4-2-1-3-14(17)13-5-6-15-16(11-13)24-18(12-23-15)25-7-9-26-10-8-25/h1-6,11-12H,7-10H2.
What are the key properties of 4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine?
4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine has a molecular weight of 375.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine is sourced from PubChem (CID 51042468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).