4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine

C14H12ClF3N2O — CID 56879776

IUPAC4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(c2ccnc3ccc(Cl)cc23)CCO1
InChIInChI=1S/C14H12ClF3N2O/c15-9-1-2-11-10(7-9)12(3-4-19-11)20-5-6-21-13(8-20)14(16,17)18/h1-4,7,13H,5-6,8H2
InChIKeyFCXXBWPJERDHIS-UHFFFAOYSA-N
MW316.71 g/mol
LogP3.66
Rot. Bonds1

About 4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine

4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine (PubChem CID 56879776) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine
PubChem CID56879776
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(c2ccnc3ccc(Cl)cc23)CCO1
InChIInChI=1S/C14H12ClF3N2O/c15-9-1-2-11-10(7-9)12(3-4-19-11)20-5-6-21-13(8-20)14(16,17)18/h1-4,7,13H,5-6,8H2
InChIKeyFCXXBWPJERDHIS-UHFFFAOYSA-N
XLogP3.66
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine (CID 56879776) is 4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine is FC(F)(F)C1CN(c2ccnc3ccc(Cl)cc23)CCO1.
What is the InChIKey of 4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is FCXXBWPJERDHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c15-9-1-2-11-10(7-9)12(3-4-19-11)20-5-6-21-13(8-20)14(16,17)18/h1-4,7,13H,5-6,8H2.
What are the key properties of 4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine?
4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 316.71 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroquinolin-4-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56879776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).