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

C14H12BrN3O3 — CID 25235686

IUPAC3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2ccc(Br)cc2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C14H12BrN3O3/c1-7-16-10-3-2-8(15)6-9(10)14(21)18(7)11-4-5-12(19)17-13(11)20/h2-3,6,11H,4-5H2,1H3,(H,17,19,20)
InChIKeyOGURAEWEFDGZSL-UHFFFAOYSA-N
MW350.17 g/mol
LogP1.45
Rot. Bonds1

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

3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (PubChem CID 25235686) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
PubChem CID25235686
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2ccc(Br)cc2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C14H12BrN3O3/c1-7-16-10-3-2-8(15)6-9(10)14(21)18(7)11-4-5-12(19)17-13(11)20/h2-3,6,11H,4-5H2,1H3,(H,17,19,20)
InChIKeyOGURAEWEFDGZSL-UHFFFAOYSA-N
XLogP1.45
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (CID 25235686) is 3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is Cc1nc2ccc(Br)cc2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is OGURAEWEFDGZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c1-7-16-10-3-2-8(15)6-9(10)14(21)18(7)11-4-5-12(19)17-13(11)20/h2-3,6,11H,4-5H2,1H3,(H,17,19,20).
What are the key properties of 3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 350.17 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 25235686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).