6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one

C24H23F4N3O4 — CID 178097511

IUPAC6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
SMILESCc1nc2cc(C(F)(F)F)c(COc3ccc(C(=O)N4CC(C)OC(C)C4)cc3F)cc2c(=O)[nH]1
InChIInChI=1S/C24H23F4N3O4/c1-12-9-31(10-13(2)35-12)23(33)15-4-5-21(19(25)7-15)34-11-16-6-17-20(8-18(16)24(26,27)28)29-14(3)30-22(17)32/h4-8,12-13H,9-11H2,1-3H3,(H,29,30,32)
InChIKeySSOYWDRIQBWNJH-UHFFFAOYSA-N
MW493.46 g/mol
LogP4.22
Rot. Bonds4

About 6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one

6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one (PubChem CID 178097511) has the molecular formula C24H23F4N3O4 and a molecular weight of 493.46 g/mol. Its IUPAC name is 6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
PubChem CID178097511
Molecular FormulaC24H23F4N3O4
Molecular Weight493.46 g/mol
Exact Mass493.16
IUPAC Name6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
SMILESCc1nc2cc(C(F)(F)F)c(COc3ccc(C(=O)N4CC(C)OC(C)C4)cc3F)cc2c(=O)[nH]1
InChIInChI=1S/C24H23F4N3O4/c1-12-9-31(10-13(2)35-12)23(33)15-4-5-21(19(25)7-15)34-11-16-6-17-20(8-18(16)24(26,27)28)29-14(3)30-22(17)32/h4-8,12-13H,9-11H2,1-3H3,(H,29,30,32)
InChIKeySSOYWDRIQBWNJH-UHFFFAOYSA-N
XLogP4.22
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-[(1S)-1-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-fluorophenoxy]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097540
6-[(1R)-1-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-fluoroanilino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098050
6-[(1R)-1-[[5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-pyridinyl]oxy]-2,2,2-trifluoroethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098299
6-[1-[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluoro-6-methoxyanilino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097079
6-[[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097712
6-[1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097298
6-[(1S)-1-[2-cyclopropyl-4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097155
6-[(1S)-1-[[3-fluoro-5-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-pyridinyl]amino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098067
6-[(1S)-1-[2-fluoro-4-[(2S)-2-methylmorpholine-4-carbonyl]anilino]propyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098205
2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097025
6-[(1R)-1-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-fluoro-3-methoxyanilino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098287
6-[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)pyrazin-2-yl]amino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097601

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one?
The IUPAC name of 6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one (CID 178097511) is 6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one is Cc1nc2cc(C(F)(F)F)c(COc3ccc(C(=O)N4CC(C)OC(C)C4)cc3F)cc2c(=O)[nH]1.
What is the InChIKey of 6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one?
The InChIKey is SSOYWDRIQBWNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N3O4/c1-12-9-31(10-13(2)35-12)23(33)15-4-5-21(19(25)7-15)34-11-16-6-17-20(8-18(16)24(26,27)28)29-14(3)30-22(17)32/h4-8,12-13H,9-11H2,1-3H3,(H,29,30,32).
What are the key properties of 6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one?
6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one has a molecular weight of 493.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenoxy]methyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 178097511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).