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

C15H19Cl2N3 — CID 121236465

IUPAC3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1ccc(C)c2c(N3CCNCC3)c(Cl)cnc12.Cl
InChIInChI=1S/C15H18ClN3.ClH/c1-10-3-4-11(2)14-13(10)15(12(16)9-18-14)19-7-5-17-6-8-19;/h3-4,9,17H,5-8H2,1-2H3;1H
InChIKeyILBMHVCRAJDHTD-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.34
Rot. Bonds1

About 3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride

3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121236465) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
PubChem CID121236465
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1ccc(C)c2c(N3CCNCC3)c(Cl)cnc12.Cl
InChIInChI=1S/C15H18ClN3.ClH/c1-10-3-4-11(2)14-13(10)15(12(16)9-18-14)19-7-5-17-6-8-19;/h3-4,9,17H,5-8H2,1-2H3;1H
InChIKeyILBMHVCRAJDHTD-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

3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline
CID 121236125
1-(2-chloro-3,6-dimethylphenyl)piperazine
CID 84789887
5,8-dimethyl-4-piperazin-1-ylquinoline
CID 43840516
3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline
CID 121236468
5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236924
1-(3,5-dimethyl-4-pyridinyl)piperazine
CID 75355584
7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine
CID 173121058
3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline
CID 121236378
5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride
CID 68761356
7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride
CID 121237126
3,6-dichloro-4-piperazin-1-ylquinoline
CID 121236121
5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride
CID 12686430

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride (CID 121236465) is 3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride is Cc1ccc(C)c2c(N3CCNCC3)c(Cl)cnc12.Cl.
What is the InChIKey of 3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is ILBMHVCRAJDHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3.ClH/c1-10-3-4-11(2)14-13(10)15(12(16)9-18-14)19-7-5-17-6-8-19;/h3-4,9,17H,5-8H2,1-2H3;1H.
What are the key properties of 3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride?
3-chloro-5,8-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 3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121236465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).