6-iodo-2-piperazin-1-ylquinoline

C13H14IN3 — CID 12044728

IUPAC6-iodo-2-piperazin-1-ylquinoline
SMILESIc1ccc2nc(N3CCNCC3)ccc2c1
InChIInChI=1S/C13H14IN3/c14-11-2-3-12-10(9-11)1-4-13(16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChIKeyBZVOKNDAJHHFPT-UHFFFAOYSA-N
MW339.18 g/mol
LogP2.25
Rot. Bonds1

About 6-iodo-2-piperazin-1-ylquinoline

6-iodo-2-piperazin-1-ylquinoline (PubChem CID 12044728) has the molecular formula C13H14IN3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 6-iodo-2-piperazin-1-ylquinoline.

Molecular Properties

Compound Name6-iodo-2-piperazin-1-ylquinoline
PubChem CID12044728
Molecular FormulaC13H14IN3
Molecular Weight339.18 g/mol
Exact Mass339.02
IUPAC Name6-iodo-2-piperazin-1-ylquinoline
SMILESIc1ccc2nc(N3CCNCC3)ccc2c1
InChIInChI=1S/C13H14IN3/c14-11-2-3-12-10(9-11)1-4-13(16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChIKeyBZVOKNDAJHHFPT-UHFFFAOYSA-N
XLogP2.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-piperazin-1-ylquinoline?
The IUPAC name of 6-iodo-2-piperazin-1-ylquinoline (CID 12044728) is 6-iodo-2-piperazin-1-ylquinoline.
What is the SMILES notation for 6-iodo-2-piperazin-1-ylquinoline?
The canonical SMILES for 6-iodo-2-piperazin-1-ylquinoline is Ic1ccc2nc(N3CCNCC3)ccc2c1.
What is the InChIKey of 6-iodo-2-piperazin-1-ylquinoline?
The InChIKey is BZVOKNDAJHHFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3/c14-11-2-3-12-10(9-11)1-4-13(16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2.
What are the key properties of 6-iodo-2-piperazin-1-ylquinoline?
6-iodo-2-piperazin-1-ylquinoline has a molecular weight of 339.18 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-piperazin-1-ylquinoline is sourced from PubChem (CID 12044728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).