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

C14H12ClF3N2O — CID 56877497

IUPAC4-(6-chloroquinolin-2-yl)-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(c2ccc3cc(Cl)ccc3n2)CCO1
InChIInChI=1S/C14H12ClF3N2O/c15-10-2-3-11-9(7-10)1-4-13(19-11)20-5-6-21-12(8-20)14(16,17)18/h1-4,7,12H,5-6,8H2
InChIKeyGICGGQCPRKCTHB-UHFFFAOYSA-N
MW316.71 g/mol
LogP3.66
Rot. Bonds1

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

4-(6-chloroquinolin-2-yl)-2-(trifluoromethyl)morpholine (PubChem CID 56877497) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 4-(6-chloroquinolin-2-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(6-chloroquinolin-2-yl)-2-(trifluoromethyl)morpholine
PubChem CID56877497
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name4-(6-chloroquinolin-2-yl)-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(c2ccc3cc(Cl)ccc3n2)CCO1
InChIInChI=1S/C14H12ClF3N2O/c15-10-2-3-11-9(7-10)1-4-13(19-11)20-5-6-21-12(8-20)14(16,17)18/h1-4,7,12H,5-6,8H2
InChIKeyGICGGQCPRKCTHB-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-2-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-(6-chloroquinolin-2-yl)-2-(trifluoromethyl)morpholine (CID 56877497) is 4-(6-chloroquinolin-2-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(6-chloroquinolin-2-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(6-chloroquinolin-2-yl)-2-(trifluoromethyl)morpholine is FC(F)(F)C1CN(c2ccc3cc(Cl)ccc3n2)CCO1.
What is the InChIKey of 4-(6-chloroquinolin-2-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is GICGGQCPRKCTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c15-10-2-3-11-9(7-10)1-4-13(19-11)20-5-6-21-12(8-20)14(16,17)18/h1-4,7,12H,5-6,8H2.
What are the key properties of 4-(6-chloroquinolin-2-yl)-2-(trifluoromethyl)morpholine?
4-(6-chloroquinolin-2-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-2-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56877497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).