3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione

C12H9F2N3O2 — CID 67017938

IUPAC3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2C=Nc3cc(F)cc(F)c3C2)C(=O)N1
InChIInChI=1S/C12H9F2N3O2/c13-6-1-8(14)7-4-17(5-15-9(7)2-6)10-3-11(18)16-12(10)19/h1-2,5,10H,3-4H2,(H,16,18,19)
InChIKeyVZYACYPUEHTJIE-UHFFFAOYSA-N
MW265.22 g/mol
LogP0.86
Rot. Bonds1

About 3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione

3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione (PubChem CID 67017938) has the molecular formula C12H9F2N3O2 and a molecular weight of 265.22 g/mol. Its IUPAC name is 3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione
PubChem CID67017938
Molecular FormulaC12H9F2N3O2
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC Name3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2C=Nc3cc(F)cc(F)c3C2)C(=O)N1
InChIInChI=1S/C12H9F2N3O2/c13-6-1-8(14)7-4-17(5-15-9(7)2-6)10-3-11(18)16-12(10)19/h1-2,5,10H,3-4H2,(H,16,18,19)
InChIKeyVZYACYPUEHTJIE-UHFFFAOYSA-N
XLogP0.86
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 586529
3-[(4-Fluorobenzyl)amino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2877157
3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
CID 10125318
3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
CID 10171508
3-(6,7-difluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
CID 10171606
3-(6-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
CID 10286040
3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]piperidine-2,6-dione
CID 10286410
3-(5-chloro-7-fluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione
CID 16222615
3-(7-chloro-5-fluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione
CID 16222616
3-(7-fluoro-4H-quinazolin-3-yl)-pyrrolidine-2,5-dione
CID 16222617
3-[7-(trifluoromethyl)-4H-quinazolin-3-yl]pyrrolidine-2,5-dione
CID 16222720
3-(6,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione
CID 16222723

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione (CID 67017938) is 3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione is O=C1CC(N2C=Nc3cc(F)cc(F)c3C2)C(=O)N1.
What is the InChIKey of 3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione?
The InChIKey is VZYACYPUEHTJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2/c13-6-1-8(14)7-4-17(5-15-9(7)2-6)10-3-11(18)16-12(10)19/h1-2,5,10H,3-4H2,(H,16,18,19).
What are the key properties of 3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione?
3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione has a molecular weight of 265.22 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 67017938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).