1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone

C16H20N4O — CID 28965186

IUPAC1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc3ccccc3cc2CN)CC1
InChIInChI=1S/C16H20N4O/c1-12(21)19-6-8-20(9-7-19)16-14(11-17)10-13-4-2-3-5-15(13)18-16/h2-5,10H,6-9,11,17H2,1H3
InChIKeyLNIMJKSLGPUPCZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.36
Rot. Bonds2

About 1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone

1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone (PubChem CID 28965186) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone
PubChem CID28965186
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc3ccccc3cc2CN)CC1
InChIInChI=1S/C16H20N4O/c1-12(21)19-6-8-20(9-7-19)16-14(11-17)10-13-4-2-3-5-15(13)18-16/h2-5,10H,6-9,11,17H2,1H3
InChIKeyLNIMJKSLGPUPCZ-UHFFFAOYSA-N
XLogP1.36
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone (CID 28965186) is 1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc3ccccc3cc2CN)CC1.
What is the InChIKey of 1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is LNIMJKSLGPUPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(21)19-6-8-20(9-7-19)16-14(11-17)10-13-4-2-3-5-15(13)18-16/h2-5,10H,6-9,11,17H2,1H3.
What are the key properties of 1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone?
1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 28965186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).