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

C15H15N3O3 — CID 129173983

IUPAC3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
SMILESC=C1c2c(C)cccc2NC(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C15H15N3O3/c1-8-4-3-5-10-13(8)9(2)18(15(21)16-10)11-6-7-12(19)17-14(11)20/h3-5,11H,2,6-7H2,1H3,(H,16,21)(H,17,19,20)
InChIKeyNJLABFYRYSCGOI-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.62
Rot. Bonds1

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

3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione (PubChem CID 129173983) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
PubChem CID129173983
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
SMILESC=C1c2c(C)cccc2NC(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C15H15N3O3/c1-8-4-3-5-10-13(8)9(2)18(15(21)16-10)11-6-7-12(19)17-14(11)20/h3-5,11H,2,6-7H2,1H3,(H,16,21)(H,17,19,20)
InChIKeyNJLABFYRYSCGOI-UHFFFAOYSA-N
XLogP1.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
CID 154595724
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione
CID 131999738
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
3-[(3E)-3-ethylidene-4-methyl-1-oxoisoindol-2-yl]piperidine-2,6-dione
CID 177344144
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
CID 123615566
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
1-methyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;propane
CID 143528648
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione (CID 129173983) is 3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione is C=C1c2c(C)cccc2NC(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is NJLABFYRYSCGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-8-4-3-5-10-13(8)9(2)18(15(21)16-10)11-6-7-12(19)17-14(11)20/h3-5,11H,2,6-7H2,1H3,(H,16,21)(H,17,19,20).
What are the key properties of 3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione?
3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 285.30 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 129173983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).