1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone

C15H18N4O — CID 61339914

IUPAC1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone
SMILESO=C(CNc1ccnc2ccccc12)N1CCNCC1
InChIInChI=1S/C15H18N4O/c20-15(19-9-7-16-8-10-19)11-18-14-5-6-17-13-4-2-1-3-12(13)14/h1-6,16H,7-11H2,(H,17,18)
InChIKeyZCPHBDXMAIXYOH-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.08
Rot. Bonds3

About 1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone

1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone (PubChem CID 61339914) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone
PubChem CID61339914
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone
SMILESO=C(CNc1ccnc2ccccc12)N1CCNCC1
InChIInChI=1S/C15H18N4O/c20-15(19-9-7-16-8-10-19)11-18-14-5-6-17-13-4-2-1-3-12(13)14/h1-6,16H,7-11H2,(H,17,18)
InChIKeyZCPHBDXMAIXYOH-UHFFFAOYSA-N
XLogP1.08
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyanilino)-1-piperazin-1-ylethanone
CID 82510539
2-(quinolin-4-ylamino)acetamide
CID 61340443
N-(3-piperazin-1-ylpropyl)quinolin-4-amine
CID 61339738
2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 62255323
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
CID 62958222
1-(4-methylpiperazin-1-yl)-2-[(6-phenoxyquinolin-4-yl)amino]ethanone
CID 166362275
2-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylethanone
CID 135102977
N-(2-oxo-2-piperazin-1-ylethyl)-2-pyridin-2-ylacetamide
CID 61174926
N-(2,2-difluoroethyl)quinolin-4-amine
CID 79099279
1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one
CID 116559522
2-methyl-3-(quinolin-4-ylamino)propanoic acid
CID 62676263

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone?
The IUPAC name of 1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone (CID 61339914) is 1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone is O=C(CNc1ccnc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone?
The InChIKey is ZCPHBDXMAIXYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(19-9-7-16-8-10-19)11-18-14-5-6-17-13-4-2-1-3-12(13)14/h1-6,16H,7-11H2,(H,17,18).
What are the key properties of 1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone?
1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone has a molecular weight of 270.34 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone is sourced from PubChem (CID 61339914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).