3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione

C14H12F3N3O2 — CID 10286410

IUPAC3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2C=Nc3cc(C(F)(F)F)ccc3C2)C(=O)N1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)9-2-1-8-6-20(7-18-10(8)5-9)11-3-4-12(21)19-13(11)22/h1-2,5,7,11H,3-4,6H2,(H,19,21,22)
InChIKeyPMUXEVAOSBLMQV-UHFFFAOYSA-N
MW311.26 g/mol
LogP1.99
Rot. Bonds1

About 3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione

3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione (PubChem CID 10286410) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione
PubChem CID10286410
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2C=Nc3cc(C(F)(F)F)ccc3C2)C(=O)N1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)9-2-1-8-6-20(7-18-10(8)5-9)11-3-4-12(21)19-13(11)22/h1-2,5,7,11H,3-4,6H2,(H,19,21,22)
InChIKeyPMUXEVAOSBLMQV-UHFFFAOYSA-N
XLogP1.99
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione (CID 10286410) is 3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione is O=C1CCC(N2C=Nc3cc(C(F)(F)F)ccc3C2)C(=O)N1.
What is the InChIKey of 3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione?
The InChIKey is PMUXEVAOSBLMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c15-14(16,17)9-2-1-8-6-20(7-18-10(8)5-9)11-3-4-12(21)19-13(11)22/h1-2,5,7,11H,3-4,6H2,(H,19,21,22).
What are the key properties of 3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione?
3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione has a molecular weight of 311.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 10286410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).