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

C17H24ClN3 — CID 121236555

IUPAC3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride
SMILESCCc1cc2ccc(C)c(C)c2nc1N1CCNCC1.Cl
InChIInChI=1S/C17H23N3.ClH/c1-4-14-11-15-6-5-12(2)13(3)16(15)19-17(14)20-9-7-18-8-10-20;/h5-6,11,18H,4,7-10H2,1-3H3;1H
InChIKeyVTYYMJUNEJDQPY-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.25
Rot. Bonds2

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

3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121236555) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride
PubChem CID121236555
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride
SMILESCCc1cc2ccc(C)c(C)c2nc1N1CCNCC1.Cl
InChIInChI=1S/C17H23N3.ClH/c1-4-14-11-15-6-5-12(2)13(3)16(15)19-17(14)20-9-7-18-8-10-20;/h5-6,11,18H,4,7-10H2,1-3H3;1H
InChIKeyVTYYMJUNEJDQPY-UHFFFAOYSA-N
XLogP3.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride (CID 121236555) is 3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride is CCc1cc2ccc(C)c(C)c2nc1N1CCNCC1.Cl.
What is the InChIKey of 3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is VTYYMJUNEJDQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3.ClH/c1-4-14-11-15-6-5-12(2)13(3)16(15)19-17(14)20-9-7-18-8-10-20;/h5-6,11,18H,4,7-10H2,1-3H3;1H.
What are the key properties of 3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride?
3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121236555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).