5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride

C15H19Cl2N3 — CID 121236924

IUPAC5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCNCC2)c2c(Cl)ccc(C)c2n1.Cl
InChIInChI=1S/C15H18ClN3.ClH/c1-10-3-4-12(16)14-13(9-11(2)18-15(10)14)19-7-5-17-6-8-19;/h3-4,9,17H,5-8H2,1-2H3;1H
InChIKeyAADSTPPRHVJGIG-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.34
Rot. Bonds1

About 5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride

5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121236924) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
PubChem CID121236924
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCNCC2)c2c(Cl)ccc(C)c2n1.Cl
InChIInChI=1S/C15H18ClN3.ClH/c1-10-3-4-12(16)14-13(9-11(2)18-15(10)14)19-7-5-17-6-8-19;/h3-4,9,17H,5-8H2,1-2H3;1H
InChIKeyAADSTPPRHVJGIG-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121235975
6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236949
5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline
CID 121236908
5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline
CID 158334079
3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236465
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
5,8-dimethyl-4-piperazin-1-ylquinoline
CID 43840516
5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236880
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
1-(2-chloro-3,6-dimethylphenyl)piperazine
CID 84789887

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride (CID 121236924) is 5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride is Cc1cc(N2CCNCC2)c2c(Cl)ccc(C)c2n1.Cl.
What is the InChIKey of 5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is AADSTPPRHVJGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3.ClH/c1-10-3-4-12(16)14-13(9-11(2)18-15(10)14)19-7-5-17-6-8-19;/h3-4,9,17H,5-8H2,1-2H3;1H.
What are the key properties of 5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride has a molecular weight of 312.24 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121236924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).