3-bromo-2-piperazin-1-ylquinoline;hydrochloride

C13H15BrClN3 — CID 166485617

IUPAC3-bromo-2-piperazin-1-ylquinoline;hydrochloride
SMILESBrc1cc2ccccc2nc1N1CCNCC1.Cl
InChIInChI=1S/C13H14BrN3.ClH/c14-11-9-10-3-1-2-4-12(10)16-13(11)17-7-5-15-6-8-17;/h1-4,9,15H,5-8H2;1H
InChIKeyWONICSOCIMIGKG-UHFFFAOYSA-N
MW328.64 g/mol
LogP2.83
Rot. Bonds1

About 3-bromo-2-piperazin-1-ylquinoline;hydrochloride

3-bromo-2-piperazin-1-ylquinoline;hydrochloride (PubChem CID 166485617) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is 3-bromo-2-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name3-bromo-2-piperazin-1-ylquinoline;hydrochloride
PubChem CID166485617
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC Name3-bromo-2-piperazin-1-ylquinoline;hydrochloride
SMILESBrc1cc2ccccc2nc1N1CCNCC1.Cl
InChIInChI=1S/C13H14BrN3.ClH/c14-11-9-10-3-1-2-4-12(10)16-13(11)17-7-5-15-6-8-17;/h1-4,9,15H,5-8H2;1H
InChIKeyWONICSOCIMIGKG-UHFFFAOYSA-N
XLogP2.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-methyl-2-piperazin-1-ylquinoline
CID 166485336
2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19763543
3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride
CID 71643070
3-chloro-1-piperazin-1-ylisoquinoline
CID 23155794
3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride
CID 120968349
2-(azocan-1-yl)-3-(bromomethyl)quinoline
CID 107079697
3-(bromomethyl)-2-(4,4-dimethylpiperidin-1-yl)quinoline
CID 107082936
7-methoxy-3-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237209
2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride
CID 173041144
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride
CID 166485525
6-fluoro-3-methyl-2-piperazin-1-ylquinoline
CID 28809528

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 3-bromo-2-piperazin-1-ylquinoline;hydrochloride (CID 166485617) is 3-bromo-2-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 3-bromo-2-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 3-bromo-2-piperazin-1-ylquinoline;hydrochloride is Brc1cc2ccccc2nc1N1CCNCC1.Cl.
What is the InChIKey of 3-bromo-2-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is WONICSOCIMIGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3.ClH/c14-11-9-10-3-1-2-4-12(10)16-13(11)17-7-5-15-6-8-17;/h1-4,9,15H,5-8H2;1H.
What are the key properties of 3-bromo-2-piperazin-1-ylquinoline;hydrochloride?
3-bromo-2-piperazin-1-ylquinoline;hydrochloride has a molecular weight of 328.64 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 166485617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).