2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

C20H24N4O4 — CID 55759278

IUPAC2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C20H24N4O4/c1-13(2)21-18(26)20(28)24-10-8-23(9-11-24)19(27)15-12-17(25)22(3)16-7-5-4-6-14(15)16/h4-7,12-13H,8-11H2,1-3H3,(H,21,26)
InChIKeyVQRPVSSCUBDMEF-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.35
Rot. Bonds2

About 2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 55759278) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
PubChem CID55759278
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C20H24N4O4/c1-13(2)21-18(26)20(28)24-10-8-23(9-11-24)19(27)15-12-17(25)22(3)16-7-5-4-6-14(15)16/h4-7,12-13H,8-11H2,1-3H3,(H,21,26)
InChIKeyVQRPVSSCUBDMEF-UHFFFAOYSA-N
XLogP0.35
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279098
4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55761742
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51278984
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
CID 110694493
1-methyl-4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)quinolin-2-one
CID 46979096
1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one
CID 55755455
4-[(3S)-3-aminoazepane-1-carbonyl]-1-methylquinolin-2-one
CID 96574654
N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 55829907
1-methyl-4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]quinolin-2-one
CID 55829532
N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790694
4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55754602
(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370801

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (CID 55759278) is 2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1.
What is the InChIKey of 2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is VQRPVSSCUBDMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-13(2)21-18(26)20(28)24-10-8-23(9-11-24)19(27)15-12-17(25)22(3)16-7-5-4-6-14(15)16/h4-7,12-13H,8-11H2,1-3H3,(H,21,26).
What are the key properties of 2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 384.44 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 55759278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).