quinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone

C15H13F3N2O2 — CID 56907741

IUPACquinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc2ccccc2n1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)13-9-20(7-8-22-13)14(21)12-6-5-10-3-1-2-4-11(10)19-12/h1-6,13H,7-9H2
InChIKeyZCQBQTIQLFOHHW-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.64
Rot. Bonds1

About quinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone

quinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 56907741) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.27 g/mol. Its IUPAC name is quinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Namequinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID56907741
Molecular FormulaC15H13F3N2O2
Molecular Weight310.27 g/mol
Exact Mass310.09
IUPAC Namequinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc2ccccc2n1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)13-9-20(7-8-22-13)14(21)12-6-5-10-3-1-2-4-11(10)19-12/h1-6,13H,7-9H2
InChIKeyZCQBQTIQLFOHHW-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of quinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of quinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 56907741) is quinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for quinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for quinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone is O=C(c1ccc2ccccc2n1)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of quinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is ZCQBQTIQLFOHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-15(17,18)13-9-20(7-8-22-13)14(21)12-6-5-10-3-1-2-4-11(10)19-12/h1-6,13H,7-9H2.
What are the key properties of quinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone?
quinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 310.27 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-yl-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56907741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).