6-nitro-2-piperazin-1-ylquinoline

C13H14N4O2 — CID 5012

IUPAC6-nitro-2-piperazin-1-ylquinoline
SMILESO=[N+]([O-])c1ccc2nc(N3CCNCC3)ccc2c1
InChIInChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
InChIKeyGGDBEAVVGFNWIA-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.55
Rot. Bonds2

About 6-nitro-2-piperazin-1-ylquinoline

6-nitro-2-piperazin-1-ylquinoline (PubChem CID 5012) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-nitro-2-piperazin-1-ylquinoline.

Molecular Properties

Compound Name6-nitro-2-piperazin-1-ylquinoline
PubChem CID5012
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-nitro-2-piperazin-1-ylquinoline
SMILESO=[N+]([O-])c1ccc2nc(N3CCNCC3)ccc2c1
InChIInChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
InChIKeyGGDBEAVVGFNWIA-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 6-nitro-2-piperazin-1-ylquinoline?
The IUPAC name of 6-nitro-2-piperazin-1-ylquinoline (CID 5012) is 6-nitro-2-piperazin-1-ylquinoline.
What is the SMILES notation for 6-nitro-2-piperazin-1-ylquinoline?
The canonical SMILES for 6-nitro-2-piperazin-1-ylquinoline is O=[N+]([O-])c1ccc2nc(N3CCNCC3)ccc2c1.
What is the InChIKey of 6-nitro-2-piperazin-1-ylquinoline?
The InChIKey is GGDBEAVVGFNWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2.
What are the key properties of 6-nitro-2-piperazin-1-ylquinoline?
6-nitro-2-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 6-nitro-2-piperazin-1-ylquinoline is sourced from PubChem (CID 5012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).