3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride

C15H18Br2ClN3 — CID 121236134

IUPAC3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1nc2c(C)c(Br)ccc2c(N2CCNCC2)c1Br.Cl
InChIInChI=1S/C15H17Br2N3.ClH/c1-9-12(16)4-3-11-14(9)19-10(2)13(17)15(11)20-7-5-18-6-8-20;/h3-4,18H,5-8H2,1-2H3;1H
InChIKeyUXHIHMQWPQRBJE-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.21
Rot. Bonds1

About 3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride

3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121236134) has the molecular formula C15H18Br2ClN3 and a molecular weight of 435.59 g/mol. Its IUPAC name is 3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
PubChem CID121236134
Molecular FormulaC15H18Br2ClN3
Molecular Weight435.59 g/mol
Exact Mass432.96
IUPAC Name3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1nc2c(C)c(Br)ccc2c(N2CCNCC2)c1Br.Cl
InChIInChI=1S/C15H17Br2N3.ClH/c1-9-12(16)4-3-11-14(9)19-10(2)13(17)15(11)20-7-5-18-6-8-20;/h3-4,18H,5-8H2,1-2H3;1H
InChIKeyUXHIHMQWPQRBJE-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 3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride (CID 121236134) is 3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride is Cc1nc2c(C)c(Br)ccc2c(N2CCNCC2)c1Br.Cl.
What is the InChIKey of 3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is UXHIHMQWPQRBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2N3.ClH/c1-9-12(16)4-3-11-14(9)19-10(2)13(17)15(11)20-7-5-18-6-8-20;/h3-4,18H,5-8H2,1-2H3;1H.
What are the key properties of 3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
3,7-dibromo-2,8-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 3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121236134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).