2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide

C16H18N4O2 — CID 108517149

IUPAC2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide
SMILESCN1CCN(C(=O)C(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C16H18N4O2/c1-19-8-10-20(11-9-19)16(22)15(21)18-13-6-2-4-12-5-3-7-17-14(12)13/h2-7H,8-11H2,1H3,(H,18,21)
InChIKeyJAUIPKNPGUZKOR-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.95
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide

2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide (PubChem CID 108517149) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide
PubChem CID108517149
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide
SMILESCN1CCN(C(=O)C(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C16H18N4O2/c1-19-8-10-20(11-9-19)16(22)15(21)18-13-6-2-4-12-5-3-7-17-14(12)13/h2-7H,8-11H2,1H3,(H,18,21)
InChIKeyJAUIPKNPGUZKOR-UHFFFAOYSA-N
XLogP0.95
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
CID 108522906
N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517054
N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide
CID 96998789
4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 48782141
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114415
ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
CID 108950376
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide
CID 109010669
N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
CID 108527715
2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
CID 95354467

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide (CID 108517149) is 2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide is CN1CCN(C(=O)C(=O)Nc2cccc3cccnc23)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide?
The InChIKey is JAUIPKNPGUZKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19-8-10-20(11-9-19)16(22)15(21)18-13-6-2-4-12-5-3-7-17-14(12)13/h2-7H,8-11H2,1H3,(H,18,21).
What are the key properties of 2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide?
2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide has a molecular weight of 298.35 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide is sourced from PubChem (CID 108517149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).