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

C14H14N4O3 — CID 24967599

IUPAC3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)
InChIKeyRSNPAKAFCAAMBH-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.26
Rot. Bonds1

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

3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (PubChem CID 24967599) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
PubChem CID24967599
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)
InChIKeyRSNPAKAFCAAMBH-UHFFFAOYSA-N
XLogP0.26
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (CID 24967599) is 3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is Cc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is RSNPAKAFCAAMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20).
What are the key properties of 3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 286.29 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 24967599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).