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

C13H12FN3O2 — CID 10125318

IUPAC3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C=Nc3cc(F)ccc3C2)C(=O)N1
InChIInChI=1S/C13H12FN3O2/c14-9-2-1-8-6-17(7-15-10(8)5-9)11-3-4-12(18)16-13(11)19/h1-2,5,7,11H,3-4,6H2,(H,16,18,19)
InChIKeyIHIRVGQAGCJNPW-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.11
Rot. Bonds1

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

3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione (PubChem CID 10125318) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
PubChem CID10125318
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C=Nc3cc(F)ccc3C2)C(=O)N1
InChIInChI=1S/C13H12FN3O2/c14-9-2-1-8-6-17(7-15-10(8)5-9)11-3-4-12(18)16-13(11)19/h1-2,5,7,11H,3-4,6H2,(H,16,18,19)
InChIKeyIHIRVGQAGCJNPW-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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Related Compounds

3-(7-fluoro-4H-quinazolin-3-yl)-1-methylpyrrolidine-2,5-dione
CID 67017946
3-(5,7-difluoro-4H-quinazolin-3-yl)pyrrolidine-2,5-dione
CID 67017938
3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione
CID 175801319
3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
CID 160690351
3-(4H-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
CID 170177680
3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 171058791
3-(2-methyl-4H-quinazolin-3-yl)piperidine-2,6-dione
CID 69335531
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
3-[6-[5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171074995
3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione
CID 154688358
2-(2,6-dioxopiperidin-3-yl)-6-[(6-fluoro-3-pyridinyl)methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 171588120

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione (CID 10125318) is 3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione is O=C1CCC(N2C=Nc3cc(F)ccc3C2)C(=O)N1.
What is the InChIKey of 3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is IHIRVGQAGCJNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-9-2-1-8-6-17(7-15-10(8)5-9)11-3-4-12(18)16-13(11)19/h1-2,5,7,11H,3-4,6H2,(H,16,18,19).
What are the key properties of 3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione?
3-(7-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-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 10125318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).