6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one

C14H15F3N2O3 — CID 3244826

IUPAC6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)NC(=O)C(N1CCOCC1)(C(F)(F)F)O2
InChIInChI=1S/C14H15F3N2O3/c1-9-2-3-11-10(8-9)18-12(20)13(22-11,14(15,16)17)19-4-6-21-7-5-19/h2-3,8H,4-7H2,1H3,(H,18,20)
InChIKeyNTUPXCFLOOSZKT-UHFFFAOYSA-N
MW316.28 g/mol
LogP1.92
Rot. Bonds1

About 6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one

6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one (PubChem CID 3244826) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
PubChem CID3244826
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)NC(=O)C(N1CCOCC1)(C(F)(F)F)O2
InChIInChI=1S/C14H15F3N2O3/c1-9-2-3-11-10(8-9)18-12(20)13(22-11,14(15,16)17)19-4-6-21-7-5-19/h2-3,8H,4-7H2,1H3,(H,18,20)
InChIKeyNTUPXCFLOOSZKT-UHFFFAOYSA-N
XLogP1.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one (CID 3244826) is 6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one is Cc1ccc2c(c1)NC(=O)C(N1CCOCC1)(C(F)(F)F)O2.
What is the InChIKey of 6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is NTUPXCFLOOSZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-9-2-3-11-10(8-9)18-12(20)13(22-11,14(15,16)17)19-4-6-21-7-5-19/h2-3,8H,4-7H2,1H3,(H,18,20).
What are the key properties of 6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one?
6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 316.28 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-morpholin-4-yl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 3244826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).