3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione

C13H11F2N3O2 — CID 10171606

IUPAC3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C=Nc3cc(F)c(F)cc3C2)C(=O)N1
InChIInChI=1S/C13H11F2N3O2/c14-8-3-7-5-18(6-16-10(7)4-9(8)15)11-1-2-12(19)17-13(11)20/h3-4,6,11H,1-2,5H2,(H,17,19,20)
InChIKeyMVGMLSOFLYCICU-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.25
Rot. Bonds1

About 3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione

3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione (PubChem CID 10171606) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
PubChem CID10171606
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C=Nc3cc(F)c(F)cc3C2)C(=O)N1
InChIInChI=1S/C13H11F2N3O2/c14-8-3-7-5-18(6-16-10(7)4-9(8)15)11-1-2-12(19)17-13(11)20/h3-4,6,11H,1-2,5H2,(H,17,19,20)
InChIKeyMVGMLSOFLYCICU-UHFFFAOYSA-N
XLogP1.25
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione 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 3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione (CID 10171606) is 3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione is O=C1CCC(N2C=Nc3cc(F)c(F)cc3C2)C(=O)N1.
What is the InChIKey of 3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is MVGMLSOFLYCICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c14-8-3-7-5-18(6-16-10(7)4-9(8)15)11-1-2-12(19)17-13(11)20/h3-4,6,11H,1-2,5H2,(H,17,19,20).
What are the key properties of 3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione?
3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 279.25 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 10171606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).