3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione

C15H12F3N3O3 — CID 24967597

IUPAC3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione
SMILESCc1cccc2nc(C(F)(F)F)n(C3CCC(=O)NC3=O)c(=O)c12
InChIInChI=1S/C15H12F3N3O3/c1-7-3-2-4-8-11(7)13(24)21(14(19-8)15(16,17)18)9-5-6-10(22)20-12(9)23/h2-4,9H,5-6H2,1H3,(H,20,22,23)
InChIKeyONJPWRCLMUBARN-UHFFFAOYSA-N
MW339.27 g/mol
LogP1.70
Rot. Bonds1

About 3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione

3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione (PubChem CID 24967597) has the molecular formula C15H12F3N3O3 and a molecular weight of 339.27 g/mol. Its IUPAC name is 3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione
PubChem CID24967597
Molecular FormulaC15H12F3N3O3
Molecular Weight339.27 g/mol
Exact Mass339.08
IUPAC Name3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione
SMILESCc1cccc2nc(C(F)(F)F)n(C3CCC(=O)NC3=O)c(=O)c12
InChIInChI=1S/C15H12F3N3O3/c1-7-3-2-4-8-11(7)13(24)21(14(19-8)15(16,17)18)9-5-6-10(22)20-12(9)23/h2-4,9H,5-6H2,1H3,(H,20,22,23)
InChIKeyONJPWRCLMUBARN-UHFFFAOYSA-N
XLogP1.70
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione with MolForge

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Related Compounds

(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 129210548
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
3-[5-[7-(1-adamantylamino)heptoxy]-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione
CID 169093844
3-(2-methyl-4-oxo-5-prop-1-ynylquinazolin-3-yl)piperidine-2,6-dione
CID 155178271
ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 144585990
(3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 164567289
[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury
CID 144668416
3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 142616477
ethane;3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 156795243
3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 156837320
3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione
CID 171801888
(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338076

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione (CID 24967597) is 3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione is Cc1cccc2nc(C(F)(F)F)n(C3CCC(=O)NC3=O)c(=O)c12.
What is the InChIKey of 3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione?
The InChIKey is ONJPWRCLMUBARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3/c1-7-3-2-4-8-11(7)13(24)21(14(19-8)15(16,17)18)9-5-6-10(22)20-12(9)23/h2-4,9H,5-6H2,1H3,(H,20,22,23).
What are the key properties of 3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione?
3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione has a molecular weight of 339.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 24967597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).