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

C13H10FN3O3 — CID 156837320

IUPAC3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cnc3cccc(F)c3c2=O)C(=O)N1
InChIInChI=1S/C13H10FN3O3/c14-7-2-1-3-8-11(7)13(20)17(6-15-8)9-4-5-10(18)16-12(9)19/h1-3,6,9H,4-5H2,(H,16,18,19)
InChIKeyLOZBPQULIUZHAS-UHFFFAOYSA-N
MW275.24 g/mol
LogP0.51
Rot. Bonds1

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

3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione (PubChem CID 156837320) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
PubChem CID156837320
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cnc3cccc(F)c3c2=O)C(=O)N1
InChIInChI=1S/C13H10FN3O3/c14-7-2-1-3-8-11(7)13(20)17(6-15-8)9-4-5-10(18)16-12(9)19/h1-3,6,9H,4-5H2,(H,16,18,19)
InChIKeyLOZBPQULIUZHAS-UHFFFAOYSA-N
XLogP0.51
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 129210548
3-[4-oxo-5-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methylamino]quinazolin-3-yl]piperidine-2,6-dione
CID 156837203
ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen
CID 171626775
(3S)-3-(4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51721884
3-[4-(4-hydroxypiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione
CID 176963181
3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione
CID 150148571
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione
CID 153310417
3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione
CID 24967597
3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 176695414
(3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51720999
3-indazol-2-ylpiperidine-2,6-dione
CID 138467082

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione (CID 156837320) is 3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione is O=C1CCC(n2cnc3cccc(F)c3c2=O)C(=O)N1.
What is the InChIKey of 3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is LOZBPQULIUZHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-7-2-1-3-8-11(7)13(20)17(6-15-8)9-4-5-10(18)16-12(9)19/h1-3,6,9H,4-5H2,(H,16,18,19).
What are the key properties of 3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 275.24 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 156837320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).