4-(5-nitroquinolin-8-yl)piperazin-2-one

C13H12N4O3 — CID 46850818

IUPAC4-(5-nitroquinolin-8-yl)piperazin-2-one
SMILESO=C1CN(c2ccc([N+](=O)[O-])c3cccnc23)CCN1
InChIInChI=1S/C13H12N4O3/c18-12-8-16(7-6-14-12)11-4-3-10(17(19)20)9-2-1-5-15-13(9)11/h1-5H,6-8H2,(H,14,18)
InChIKeyOVXLKJUSVKRWFX-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.08
Rot. Bonds2

About 4-(5-nitroquinolin-8-yl)piperazin-2-one

4-(5-nitroquinolin-8-yl)piperazin-2-one (PubChem CID 46850818) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-(5-nitroquinolin-8-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-nitroquinolin-8-yl)piperazin-2-one
PubChem CID46850818
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name4-(5-nitroquinolin-8-yl)piperazin-2-one
SMILESO=C1CN(c2ccc([N+](=O)[O-])c3cccnc23)CCN1
InChIInChI=1S/C13H12N4O3/c18-12-8-16(7-6-14-12)11-4-3-10(17(19)20)9-2-1-5-15-13(9)11/h1-5H,6-8H2,(H,14,18)
InChIKeyOVXLKJUSVKRWFX-UHFFFAOYSA-N
XLogP1.08
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-8-piperidin-1-ylquinoline
CID 3124100
5-nitro-8-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 46238560
5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 2868370
8-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-nitroquinoline
CID 66211256
4-(5-aminoquinolin-8-yl)-1,4-diazepan-2-one
CID 65361499
4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol
CID 30746841
5-(3-methylpiperazin-1-yl)-8-nitroquinoline
CID 62479803
(3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
CID 2866417
3-nitro-4-(3-oxopiperazin-1-yl)benzaldehyde
CID 9113675
2-(2-chlorophenyl)-4-(5-nitroquinolin-8-yl)morpholine
CID 133289830
4-[2-nitro-4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-2-one
CID 126667736
4-(2-amino-3-pyridinyl)piperazin-2-one
CID 104539681

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitroquinolin-8-yl)piperazin-2-one?
The IUPAC name of 4-(5-nitroquinolin-8-yl)piperazin-2-one (CID 46850818) is 4-(5-nitroquinolin-8-yl)piperazin-2-one.
What is the SMILES notation for 4-(5-nitroquinolin-8-yl)piperazin-2-one?
The canonical SMILES for 4-(5-nitroquinolin-8-yl)piperazin-2-one is O=C1CN(c2ccc([N+](=O)[O-])c3cccnc23)CCN1.
What is the InChIKey of 4-(5-nitroquinolin-8-yl)piperazin-2-one?
The InChIKey is OVXLKJUSVKRWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c18-12-8-16(7-6-14-12)11-4-3-10(17(19)20)9-2-1-5-15-13(9)11/h1-5H,6-8H2,(H,14,18).
What are the key properties of 4-(5-nitroquinolin-8-yl)piperazin-2-one?
4-(5-nitroquinolin-8-yl)piperazin-2-one has a molecular weight of 272.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitroquinolin-8-yl)piperazin-2-one is sourced from PubChem (CID 46850818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).