2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide

C17H20N4O3 — CID 108522906

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
SMILESO=C(Nc1cccc2cccnc12)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C17H20N4O3/c22-12-11-20-7-9-21(10-8-20)17(24)16(23)19-14-5-1-3-13-4-2-6-18-15(13)14/h1-6,22H,7-12H2,(H,19,23)
InChIKeyLTNLRRCOSAQAII-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.31
Rot. Bonds3

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide

2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide (PubChem CID 108522906) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
PubChem CID108522906
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
SMILESO=C(Nc1cccc2cccnc12)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C17H20N4O3/c22-12-11-20-7-9-21(10-8-20)17(24)16(23)19-14-5-1-3-13-4-2-6-18-15(13)14/h1-6,22H,7-12H2,(H,19,23)
InChIKeyLTNLRRCOSAQAII-UHFFFAOYSA-N
XLogP0.31
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 108517149
4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 48782141
4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113110970
4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113107085
N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide
CID 96998789
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
CID 108950376
2-(4-methylsulfonylpiperazin-1-yl)-N-quinolin-8-ylacetamide
CID 110684450
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109104633
2-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109084621

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide (CID 108522906) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide is O=C(Nc1cccc2cccnc12)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide?
The InChIKey is LTNLRRCOSAQAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-12-11-20-7-9-21(10-8-20)17(24)16(23)19-14-5-1-3-13-4-2-6-18-15(13)14/h1-6,22H,7-12H2,(H,19,23).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide has a molecular weight of 328.37 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide is sourced from PubChem (CID 108522906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).