4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine

C15H15F3N2O — CID 56868973

IUPAC4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine
SMILESCc1cc(N2CCOC(C(F)(F)F)C2)nc2ccccc12
InChIInChI=1S/C15H15F3N2O/c1-10-8-14(19-12-5-3-2-4-11(10)12)20-6-7-21-13(9-20)15(16,17)18/h2-5,8,13H,6-7,9H2,1H3
InChIKeyVLBZRPFKWZGXSI-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.31
Rot. Bonds1

About 4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine

4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine (PubChem CID 56868973) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine
PubChem CID56868973
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine
SMILESCc1cc(N2CCOC(C(F)(F)F)C2)nc2ccccc12
InChIInChI=1S/C15H15F3N2O/c1-10-8-14(19-12-5-3-2-4-11(10)12)20-6-7-21-13(9-20)15(16,17)18/h2-5,8,13H,6-7,9H2,1H3
InChIKeyVLBZRPFKWZGXSI-UHFFFAOYSA-N
XLogP3.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine (CID 56868973) is 4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine is Cc1cc(N2CCOC(C(F)(F)F)C2)nc2ccccc12.
What is the InChIKey of 4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is VLBZRPFKWZGXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-10-8-14(19-12-5-3-2-4-11(10)12)20-6-7-21-13(9-20)15(16,17)18/h2-5,8,13H,6-7,9H2,1H3.
What are the key properties of 4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine?
4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 296.29 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56868973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).