2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone

C15H18N4O — CID 3063580

IUPAC2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
SMILESNCC(=O)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C15H18N4O/c16-11-15(20)19-9-7-18(8-10-19)14-6-5-12-3-1-2-4-13(12)17-14/h1-6H,7-11,16H2
InChIKeyCYEQZOSGCHHTIL-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.84
Rot. Bonds2

About 2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone

2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone (PubChem CID 3063580) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
PubChem CID3063580
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
SMILESNCC(=O)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C15H18N4O/c16-11-15(20)19-9-7-18(8-10-19)14-6-5-12-3-1-2-4-13(12)17-14/h1-6H,7-11,16H2
InChIKeyCYEQZOSGCHHTIL-UHFFFAOYSA-N
XLogP0.84
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 567081
3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741630
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
CID 108764163
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
(Z)-but-2-enedioic acid;ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 126476747
2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 108741549
4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108764072
4-(2,6-dimethylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
CID 108764157

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone (CID 3063580) is 2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone is NCC(=O)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is CYEQZOSGCHHTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-11-15(20)19-9-7-18(8-10-19)14-6-5-12-3-1-2-4-13(12)17-14/h1-6H,7-11,16H2.
What are the key properties of 2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 270.34 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 3063580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).