1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione

C23H21N3O4 — CID 5280292

IUPAC1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione
SMILESCC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2cc(O)ccc2n1
InChIInChI=1S/C23H21N3O4/c1-15-14-25(22(29)16-5-3-2-4-6-16)11-12-26(15)23(30)21(28)20-9-7-17-13-18(27)8-10-19(17)24-20/h2-10,13,15,27H,11-12,14H2,1H3
InChIKeySJJRAIDETBSBKL-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.50
Rot. Bonds3

About 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione

1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione (PubChem CID 5280292) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione
PubChem CID5280292
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione
SMILESCC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2cc(O)ccc2n1
InChIInChI=1S/C23H21N3O4/c1-15-14-25(22(29)16-5-3-2-4-6-16)11-12-26(15)23(30)21(28)20-9-7-17-13-18(27)8-10-19(17)24-20/h2-10,13,15,27H,11-12,14H2,1H3
InChIKeySJJRAIDETBSBKL-UHFFFAOYSA-N
XLogP2.50
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hydroxy evodiamine
CID 56967381
(1S)-7-hydroxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one
CID 71307457
[4-(2-Hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 2454966
3-Hydroxyevodiamine
CID 56967992
N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide
CID 118868576
Piperazine, 4-benzoyl-1-[1,2-dioxo-2-(6-methoxy-2-quinolinyl)ethyl]-2-methyl-
CID 5280289
Piperazine, 4-benzoyl-1-[1,2-dioxo-2-(5-hydroxy-2-quinolinyl)ethyl]-2-methyl-
CID 5280293
[(4R,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-quinolin-2-ylmethanone
CID 54581199
N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide
CID 10064737
[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]-(5-hydroxy-1-methylindol-2-yl)methanone
CID 10766424
(6-(1-Isopropylpiperidin-4-yloxy)quinolin-2-yl)(4-methoxypiperidin-1-yl)methanone
CID 11654491
5-Hydroxy-N,1-dimethyl-N-phenyl-1H-indole-2-carboxamide
CID 15211855

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione?
The IUPAC name of 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione (CID 5280292) is 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione?
The canonical SMILES for 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione is CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2cc(O)ccc2n1.
What is the InChIKey of 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione?
The InChIKey is SJJRAIDETBSBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-15-14-25(22(29)16-5-3-2-4-6-16)11-12-26(15)23(30)21(28)20-9-7-17-13-18(27)8-10-19(17)24-20/h2-10,13,15,27H,11-12,14H2,1H3.
What are the key properties of 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione?
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione has a molecular weight of 403.44 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-hydroxyquinolin-2-yl)ethane-1,2-dione is sourced from PubChem (CID 5280292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).