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

C15H15F3N2O — CID 95556392

IUPAC(2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine
SMILESCc1cc(N2CCO[C@H](C(F)(F)F)C2)c2ccccc2n1
InChIInChI=1S/C15H15F3N2O/c1-10-8-13(11-4-2-3-5-12(11)19-10)20-6-7-21-14(9-20)15(16,17)18/h2-5,8,14H,6-7,9H2,1H3/t14-/m0/s1
InChIKeyPQYUQTYBHKHKAT-AWEZNQCLSA-N
MW296.29 g/mol
LogP3.31
Rot. Bonds1

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

(2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine (PubChem CID 95556392) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is (2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine
PubChem CID95556392
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name(2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine
SMILESCc1cc(N2CCO[C@H](C(F)(F)F)C2)c2ccccc2n1
InChIInChI=1S/C15H15F3N2O/c1-10-8-13(11-4-2-3-5-12(11)19-10)20-6-7-21-14(9-20)15(16,17)18/h2-5,8,14H,6-7,9H2,1H3/t14-/m0/s1
InChIKeyPQYUQTYBHKHKAT-AWEZNQCLSA-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 (2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of (2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine (CID 95556392) is (2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine is Cc1cc(N2CCO[C@H](C(F)(F)F)C2)c2ccccc2n1.
What is the InChIKey of (2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is PQYUQTYBHKHKAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-10-8-13(11-4-2-3-5-12(11)19-10)20-6-7-21-14(9-20)15(16,17)18/h2-5,8,14H,6-7,9H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine?
(2S)-4-(2-methylquinolin-4-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 (2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95556392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).