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

C15H19Cl2N3 — CID 121237026

IUPAC6-chloro-4,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCNCC2)nc2c(C)cc(Cl)cc12.Cl
InChIInChI=1S/C15H18ClN3.ClH/c1-10-8-14(19-5-3-17-4-6-19)18-15-11(2)7-12(16)9-13(10)15;/h7-9,17H,3-6H2,1-2H3;1H
InChIKeyPPVPFDODVWEUQC-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.34
Rot. Bonds1

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

6-chloro-4,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121237026) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 6-chloro-4,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name6-chloro-4,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride
PubChem CID121237026
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name6-chloro-4,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCNCC2)nc2c(C)cc(Cl)cc12.Cl
InChIInChI=1S/C15H18ClN3.ClH/c1-10-8-14(19-5-3-17-4-6-19)18-15-11(2)7-12(16)9-13(10)15;/h7-9,17H,3-6H2,1-2H3;1H
InChIKeyPPVPFDODVWEUQC-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 6-chloro-4,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride (CID 121237026) is 6-chloro-4,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 6-chloro-4,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 6-chloro-4,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride is Cc1cc(N2CCNCC2)nc2c(C)cc(Cl)cc12.Cl.
What is the InChIKey of 6-chloro-4,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is PPVPFDODVWEUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3.ClH/c1-10-8-14(19-5-3-17-4-6-19)18-15-11(2)7-12(16)9-13(10)15;/h7-9,17H,3-6H2,1-2H3;1H.
What are the key properties of 6-chloro-4,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride?
6-chloro-4,8-dimethyl-2-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 6-chloro-4,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121237026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).