2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide

C15H15ClN4O2 — CID 46227121

IUPAC2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C15H15ClN4O2/c16-10-1-2-11-12(9-10)18-4-3-13(11)19-5-7-20(8-6-19)15(22)14(17)21/h1-4,9H,5-8H2,(H2,17,21)
InChIKeyAYAATFPFUDWGRO-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.02
Rot. Bonds1

About 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide

2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 46227121) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
PubChem CID46227121
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C15H15ClN4O2/c16-10-1-2-11-12(9-10)18-4-3-13(11)19-5-7-20(8-6-19)15(22)14(17)21/h1-4,9H,5-8H2,(H2,17,21)
InChIKeyAYAATFPFUDWGRO-UHFFFAOYSA-N
XLogP1.02
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.02
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

1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
5-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid
CID 10816810
4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 21101797
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 57389219
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one
CID 57389220
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-3-piperidin-1-ylpropan-1-one
CID 10438408
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone
CID 134130907
(2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone
CID 31399795
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 60503012
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide (CID 46227121) is 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide is NC(=O)C(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is AYAATFPFUDWGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-10-1-2-11-12(9-10)18-4-3-13(11)19-5-7-20(8-6-19)15(22)14(17)21/h1-4,9H,5-8H2,(H2,17,21).
What are the key properties of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide?
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 318.76 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 46227121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).