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

C14H12N4O5 — CID 68728143

IUPAC3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C14H12N4O5/c1-7-15-10-3-2-8(18(22)23)6-9(10)14(21)17(7)11-4-5-12(19)16-13(11)20/h2-3,6,11H,4-5H2,1H3,(H,16,19,20)
InChIKeyOCLJHEMFVOANOQ-UHFFFAOYSA-N
MW316.27 g/mol
LogP0.59
Rot. Bonds2

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

3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione (PubChem CID 68728143) has the molecular formula C14H12N4O5 and a molecular weight of 316.27 g/mol. Its IUPAC name is 3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
PubChem CID68728143
Molecular FormulaC14H12N4O5
Molecular Weight316.27 g/mol
Exact Mass316.08
IUPAC Name3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C14H12N4O5/c1-7-15-10-3-2-8(18(22)23)6-9(10)14(21)17(7)11-4-5-12(19)16-13(11)20/h2-3,6,11H,4-5H2,1H3,(H,16,19,20)
InChIKeyOCLJHEMFVOANOQ-UHFFFAOYSA-N
XLogP0.59
TPSA124.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione (CID 68728143) is 3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione is Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is OCLJHEMFVOANOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5/c1-7-15-10-3-2-8(18(22)23)6-9(10)14(21)17(7)11-4-5-12(19)16-13(11)20/h2-3,6,11H,4-5H2,1H3,(H,16,19,20).
What are the key properties of 3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 316.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 68728143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).