3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride

C16H21BrClN3 — CID 121236321

IUPAC3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCCc1ccc2nc(C)c(Br)c(N3CCNCC3)c2c1.Cl
InChIInChI=1S/C16H20BrN3.ClH/c1-3-12-4-5-14-13(10-12)16(15(17)11(2)19-14)20-8-6-18-7-9-20;/h4-5,10,18H,3,6-9H2,1-2H3;1H
InChIKeyOSOJAMGDJGZFSU-UHFFFAOYSA-N
MW370.72 g/mol
LogP3.70
Rot. Bonds2

About 3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride

3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121236321) has the molecular formula C16H21BrClN3 and a molecular weight of 370.72 g/mol. Its IUPAC name is 3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
PubChem CID121236321
Molecular FormulaC16H21BrClN3
Molecular Weight370.72 g/mol
Exact Mass369.06
IUPAC Name3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCCc1ccc2nc(C)c(Br)c(N3CCNCC3)c2c1.Cl
InChIInChI=1S/C16H20BrN3.ClH/c1-3-12-4-5-14-13(10-12)16(15(17)11(2)19-14)20-8-6-18-7-9-20;/h4-5,10,18H,3,6-9H2,1-2H3;1H
InChIKeyOSOJAMGDJGZFSU-UHFFFAOYSA-N
XLogP3.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride (CID 121236321) is 3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride is CCc1ccc2nc(C)c(Br)c(N3CCNCC3)c2c1.Cl.
What is the InChIKey of 3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is OSOJAMGDJGZFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3.ClH/c1-3-12-4-5-14-13(10-12)16(15(17)11(2)19-14)20-8-6-18-7-9-20;/h4-5,10,18H,3,6-9H2,1-2H3;1H.
What are the key properties of 3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride has a molecular weight of 370.72 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121236321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).