3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione

C15H17N3O3 — CID 129170693

IUPAC3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione
SMILESCC1=CC=CC2N=C(C)N(C3CCC(=O)NC3=O)C(=O)C12
InChIInChI=1S/C15H17N3O3/c1-8-4-3-5-10-13(8)15(21)18(9(2)16-10)11-6-7-12(19)17-14(11)20/h3-5,10-11,13H,6-7H2,1-2H3,(H,17,19,20)
InChIKeyGELGJBATLHWFAF-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.55
Rot. Bonds1

About 3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione

3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione (PubChem CID 129170693) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione
PubChem CID129170693
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione
SMILESCC1=CC=CC2N=C(C)N(C3CCC(=O)NC3=O)C(=O)C12
InChIInChI=1S/C15H17N3O3/c1-8-4-3-5-10-13(8)15(21)18(9(2)16-10)11-6-7-12(19)17-14(11)20/h3-5,10-11,13H,6-7H2,1-2H3,(H,17,19,20)
InChIKeyGELGJBATLHWFAF-UHFFFAOYSA-N
XLogP0.55
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione with MolForge

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Related Compounds

N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]-2-ethoxyacetamide
CID 118895703
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-5-yl]methyl]-2-phenylacetamide
CID 126583753
(3S)-3-(2,5,8a-trimethyl-4-oxo-4aH-quinazolin-3-yl)piperidine-2,6-dione
CID 129170692
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
(3R)-3-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 124564806
(1R,2R,6S,7S)-4-[(3R)-2,6-dioxopiperidin-3-yl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 76958691
ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione
CID 177010708
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
CID 163290580
3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione
CID 67472020

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione (CID 129170693) is 3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione is CC1=CC=CC2N=C(C)N(C3CCC(=O)NC3=O)C(=O)C12.
What is the InChIKey of 3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is GELGJBATLHWFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8-4-3-5-10-13(8)15(21)18(9(2)16-10)11-6-7-12(19)17-14(11)20/h3-5,10-11,13H,6-7H2,1-2H3,(H,17,19,20).
What are the key properties of 3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione?
3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 287.32 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 129170693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).