3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride

C15H18Br2ClN3 — CID 121236154

IUPAC3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1cc(Br)c2nc(C)c(Br)c(N3CCNCC3)c2c1.Cl
InChIInChI=1S/C15H17Br2N3.ClH/c1-9-7-11-14(12(16)8-9)19-10(2)13(17)15(11)20-5-3-18-4-6-20;/h7-8,18H,3-6H2,1-2H3;1H
InChIKeyLZGXZBVSNWLYAL-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.21
Rot. Bonds1

About 3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride

3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121236154) has the molecular formula C15H18Br2ClN3 and a molecular weight of 435.59 g/mol. Its IUPAC name is 3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
PubChem CID121236154
Molecular FormulaC15H18Br2ClN3
Molecular Weight435.59 g/mol
Exact Mass432.96
IUPAC Name3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1cc(Br)c2nc(C)c(Br)c(N3CCNCC3)c2c1.Cl
InChIInChI=1S/C15H17Br2N3.ClH/c1-9-7-11-14(12(16)8-9)19-10(2)13(17)15(11)20-5-3-18-4-6-20;/h7-8,18H,3-6H2,1-2H3;1H
InChIKeyLZGXZBVSNWLYAL-UHFFFAOYSA-N
XLogP4.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride (CID 121236154) is 3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride is Cc1cc(Br)c2nc(C)c(Br)c(N3CCNCC3)c2c1.Cl.
What is the InChIKey of 3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is LZGXZBVSNWLYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2N3.ClH/c1-9-7-11-14(12(16)8-9)19-10(2)13(17)15(11)20-5-3-18-4-6-20;/h7-8,18H,3-6H2,1-2H3;1H.
What are the key properties of 3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride has a molecular weight of 435.59 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121236154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).