6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione

C21H24N4O2 — CID 11089822

IUPAC6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(CCCN3CCN(c4ccccc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C21H24N4O2/c26-20-21(27)23-19-15-16(8-9-18(19)22-20)5-4-10-24-11-13-25(14-12-24)17-6-2-1-3-7-17/h1-3,6-9,15H,4-5,10-14H2,(H,22,26)(H,23,27)
InChIKeyFLLCBZBFPOOYMV-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.97
Rot. Bonds5

About 6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione

6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 11089822) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID11089822
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(CCCN3CCN(c4ccccc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C21H24N4O2/c26-20-21(27)23-19-15-16(8-9-18(19)22-20)5-4-10-24-11-13-25(14-12-24)17-6-2-1-3-7-17/h1-3,6-9,15H,4-5,10-14H2,(H,22,26)(H,23,27)
InChIKeyFLLCBZBFPOOYMV-UHFFFAOYSA-N
XLogP1.97
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-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

4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine
CID 11001412
2-methylsulfonyl-5-[5-(4-phenylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 57291702
7-[2-(4-phenylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 19752235
2-(methylsulfonylmethyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
CID 102317477
6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one
CID 22163814
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
CID 69479444
4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one
CID 135985971
3-methyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-one
CID 10522029
1-benzyl-4-(4-phenylbutyl)piperazine;2-[4-(4-phenylpiperazin-1-yl)butyl]isoindole-1,3-dione
CID 67835959
6-(3-pyrrolidin-1-ylpropyl)-3H-1,3-benzothiazol-2-one
CID 22413482
2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide
CID 22576547
2,4-dioxo-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrimidine-5-carbonitrile
CID 47058721

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione (CID 11089822) is 6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(CCCN3CCN(c4ccccc4)CC3)cc2[nH]c1=O.
What is the InChIKey of 6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is FLLCBZBFPOOYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20-21(27)23-19-15-16(8-9-18(19)22-20)5-4-10-24-11-13-25(14-12-24)17-6-2-1-3-7-17/h1-3,6-9,15H,4-5,10-14H2,(H,22,26)(H,23,27).
What are the key properties of 6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 364.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 11089822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).