6-bromo-4-piperazin-1-ylquinoline

C13H14BrN3 — CID 17040080

IUPAC6-bromo-4-piperazin-1-ylquinoline
SMILESBrc1ccc2nccc(N3CCNCC3)c2c1
InChIInChI=1S/C13H14BrN3/c14-10-1-2-12-11(9-10)13(3-4-16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChIKeyBBICIXDOMKPLKH-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.41
Rot. Bonds1

About 6-bromo-4-piperazin-1-ylquinoline

6-bromo-4-piperazin-1-ylquinoline (PubChem CID 17040080) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 6-bromo-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name6-bromo-4-piperazin-1-ylquinoline
PubChem CID17040080
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name6-bromo-4-piperazin-1-ylquinoline
SMILESBrc1ccc2nccc(N3CCNCC3)c2c1
InChIInChI=1S/C13H14BrN3/c14-10-1-2-12-11(9-10)13(3-4-16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChIKeyBBICIXDOMKPLKH-UHFFFAOYSA-N
XLogP2.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-piperazin-1-ylquinoline?
The IUPAC name of 6-bromo-4-piperazin-1-ylquinoline (CID 17040080) is 6-bromo-4-piperazin-1-ylquinoline.
What is the SMILES notation for 6-bromo-4-piperazin-1-ylquinoline?
The canonical SMILES for 6-bromo-4-piperazin-1-ylquinoline is Brc1ccc2nccc(N3CCNCC3)c2c1.
What is the InChIKey of 6-bromo-4-piperazin-1-ylquinoline?
The InChIKey is BBICIXDOMKPLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c14-10-1-2-12-11(9-10)13(3-4-16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2.
What are the key properties of 6-bromo-4-piperazin-1-ylquinoline?
6-bromo-4-piperazin-1-ylquinoline has a molecular weight of 292.18 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-piperazin-1-ylquinoline is sourced from PubChem (CID 17040080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).