3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline

C18H25N3 — CID 64939408

IUPAC3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline
SMILESCCC1(CC)CN(c2cnc3ccccc3c2)C(C)CN1
InChIInChI=1S/C18H25N3/c1-4-18(5-2)13-21(14(3)11-20-18)16-10-15-8-6-7-9-17(15)19-12-16/h6-10,12,14,20H,4-5,11,13H2,1-3H3
InChIKeyWCXIGFGQCJVEHN-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.59
Rot. Bonds3

About 3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline

3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline (PubChem CID 64939408) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline
PubChem CID64939408
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline
SMILESCCC1(CC)CN(c2cnc3ccccc3c2)C(C)CN1
InChIInChI=1S/C18H25N3/c1-4-18(5-2)13-21(14(3)11-20-18)16-10-15-8-6-7-9-17(15)19-12-16/h6-10,12,14,20H,4-5,11,13H2,1-3H3
InChIKeyWCXIGFGQCJVEHN-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline?
The IUPAC name of 3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline (CID 64939408) is 3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline.
What is the SMILES notation for 3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline?
The canonical SMILES for 3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline is CCC1(CC)CN(c2cnc3ccccc3c2)C(C)CN1.
What is the InChIKey of 3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline?
The InChIKey is WCXIGFGQCJVEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-18(5-2)13-21(14(3)11-20-18)16-10-15-8-6-7-9-17(15)19-12-16/h6-10,12,14,20H,4-5,11,13H2,1-3H3.
What are the key properties of 3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline?
3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline has a molecular weight of 283.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline is sourced from PubChem (CID 64939408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).