3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione

C13H12FN3O2 — CID 10171508

IUPAC3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C=Nc3cccc(F)c3C2)C(=O)N1
InChIInChI=1S/C13H12FN3O2/c14-9-2-1-3-10-8(9)6-17(7-15-10)11-4-5-12(18)16-13(11)19/h1-3,7,11H,4-6H2,(H,16,18,19)
InChIKeyHQAYWXIOVKMRCO-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.11
Rot. Bonds1

About 3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione

3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione (PubChem CID 10171508) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
PubChem CID10171508
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C=Nc3cccc(F)c3C2)C(=O)N1
InChIInChI=1S/C13H12FN3O2/c14-9-2-1-3-10-8(9)6-17(7-15-10)11-4-5-12(18)16-13(11)19/h1-3,7,11H,4-6H2,(H,16,18,19)
InChIKeyHQAYWXIOVKMRCO-UHFFFAOYSA-N
XLogP1.11
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.11
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-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione (CID 10171508) is 3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione is O=C1CCC(N2C=Nc3cccc(F)c3C2)C(=O)N1.
What is the InChIKey of 3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is HQAYWXIOVKMRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-9-2-1-3-10-8(9)6-17(7-15-10)11-4-5-12(18)16-13(11)19/h1-3,7,11H,4-6H2,(H,16,18,19).
What are the key properties of 3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione?
3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 261.26 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 10171508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).