8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline

C17H23N3 — CID 64845277

IUPAC8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline
SMILESCCC1CNC(C)CN1Cc1cccc2cccnc12
InChIInChI=1S/C17H23N3/c1-3-16-10-19-13(2)11-20(16)12-15-7-4-6-14-8-5-9-18-17(14)15/h4-9,13,16,19H,3,10-12H2,1-2H3
InChIKeySIVPTSKUYUIOGE-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.81
Rot. Bonds3

About 8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline

8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline (PubChem CID 64845277) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline
PubChem CID64845277
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline
SMILESCCC1CNC(C)CN1Cc1cccc2cccnc12
InChIInChI=1S/C17H23N3/c1-3-16-10-19-13(2)11-20(16)12-15-7-4-6-14-8-5-9-18-17(14)15/h4-9,13,16,19H,3,10-12H2,1-2H3
InChIKeySIVPTSKUYUIOGE-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline (CID 64845277) is 8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline is CCC1CNC(C)CN1Cc1cccc2cccnc12.
What is the InChIKey of 8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline?
The InChIKey is SIVPTSKUYUIOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-16-10-19-13(2)11-20(16)12-15-7-4-6-14-8-5-9-18-17(14)15/h4-9,13,16,19H,3,10-12H2,1-2H3.
What are the key properties of 8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline?
8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline has a molecular weight of 269.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 64845277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).