5-nitro-8-piperazin-1-ylquinoline

C13H14N4O2 — CID 2829613

IUPAC5-nitro-8-piperazin-1-ylquinoline
SMILESO=[N+]([O-])c1ccc(N2CCNCC2)c2ncccc12
InChIInChI=1S/C13H14N4O2/c18-17(19)11-3-4-12(16-8-6-14-7-9-16)13-10(11)2-1-5-15-13/h1-5,14H,6-9H2
InChIKeyNOFLBEAANHNPIK-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.55
Rot. Bonds2

About 5-nitro-8-piperazin-1-ylquinoline

5-nitro-8-piperazin-1-ylquinoline (PubChem CID 2829613) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-nitro-8-piperazin-1-ylquinoline.

Molecular Properties

Compound Name5-nitro-8-piperazin-1-ylquinoline
PubChem CID2829613
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5-nitro-8-piperazin-1-ylquinoline
SMILESO=[N+]([O-])c1ccc(N2CCNCC2)c2ncccc12
InChIInChI=1S/C13H14N4O2/c18-17(19)11-3-4-12(16-8-6-14-7-9-16)13-10(11)2-1-5-15-13/h1-5,14H,6-9H2
InChIKeyNOFLBEAANHNPIK-UHFFFAOYSA-N
XLogP1.55
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-8-piperazin-1-ylquinoline?
The IUPAC name of 5-nitro-8-piperazin-1-ylquinoline (CID 2829613) is 5-nitro-8-piperazin-1-ylquinoline.
What is the SMILES notation for 5-nitro-8-piperazin-1-ylquinoline?
The canonical SMILES for 5-nitro-8-piperazin-1-ylquinoline is O=[N+]([O-])c1ccc(N2CCNCC2)c2ncccc12.
What is the InChIKey of 5-nitro-8-piperazin-1-ylquinoline?
The InChIKey is NOFLBEAANHNPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-17(19)11-3-4-12(16-8-6-14-7-9-16)13-10(11)2-1-5-15-13/h1-5,14H,6-9H2.
What are the key properties of 5-nitro-8-piperazin-1-ylquinoline?
5-nitro-8-piperazin-1-ylquinoline has a molecular weight of 258.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-8-piperazin-1-ylquinoline is sourced from PubChem (CID 2829613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).