3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione

C17H19N3O3 — CID 123615566

IUPAC3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
SMILESCC=C1Nc2cccc(CC)c2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C17H19N3O3/c1-3-10-6-5-7-11-15(10)17(23)20(13(4-2)18-11)12-8-9-14(21)19-16(12)22/h4-7,12,18H,3,8-9H2,1-2H3,(H,19,21,22)
InChIKeyHFYRGOGNLJHVIG-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.78
Rot. Bonds2

About 3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione

3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione (PubChem CID 123615566) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
PubChem CID123615566
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
SMILESCC=C1Nc2cccc(CC)c2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C17H19N3O3/c1-3-10-6-5-7-11-15(10)17(23)20(13(4-2)18-11)12-8-9-14(21)19-16(12)22/h4-7,12,18H,3,8-9H2,1-2H3,(H,19,21,22)
InChIKeyHFYRGOGNLJHVIG-UHFFFAOYSA-N
XLogP1.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione with MolForge

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Related Compounds

4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154670467
2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione
CID 158773174
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
CID 129173983
3-[(3E)-3-ethylidene-4-methyl-1-oxoisoindol-2-yl]piperidine-2,6-dione
CID 177344144
2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione
CID 156883025
2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione
CID 155449044
2-(2,6-dioxopiperidin-3-yl)-4-[11-(methylamino)undecyl]isoindole-1,3-dione
CID 167194550
2-(2,6-dioxopiperidin-3-yl)-4-ethylsulfanylisoindole-1,3-dione
CID 164762929
4-(11-aminoundecyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 160780057
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane
CID 166167636

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione (CID 123615566) is 3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione is CC=C1Nc2cccc(CC)c2C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is HFYRGOGNLJHVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-10-6-5-7-11-15(10)17(23)20(13(4-2)18-11)12-8-9-14(21)19-16(12)22/h4-7,12,18H,3,8-9H2,1-2H3,(H,19,21,22).
What are the key properties of 3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione?
3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 313.36 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 123615566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).