2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide

C26H33N5O3 — CID 46357058

IUPAC2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
SMILESCc1cccc(N2CCN(CCCNC(=O)Cn3c(=O)c(=O)n(C)c4ccccc43)CC2C)c1
InChIInChI=1S/C26H33N5O3/c1-19-8-6-9-21(16-19)30-15-14-29(17-20(30)2)13-7-12-27-24(32)18-31-23-11-5-4-10-22(23)28(3)25(33)26(31)34/h4-6,8-11,16,20H,7,12-15,17-18H2,1-3H3,(H,27,32)
InChIKeyZKTSICPCGASZTL-UHFFFAOYSA-N
MW463.58 g/mol
LogP1.73
Rot. Bonds7

About 2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide

2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide (PubChem CID 46357058) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
PubChem CID46357058
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
SMILESCc1cccc(N2CCN(CCCNC(=O)Cn3c(=O)c(=O)n(C)c4ccccc43)CC2C)c1
InChIInChI=1S/C26H33N5O3/c1-19-8-6-9-21(16-19)30-15-14-29(17-20(30)2)13-7-12-27-24(32)18-31-23-11-5-4-10-22(23)28(3)25(33)26(31)34/h4-6,8-11,16,20H,7,12-15,17-18H2,1-3H3,(H,27,32)
InChIKeyZKTSICPCGASZTL-UHFFFAOYSA-N
XLogP1.73
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 95064505
1,3-dimethyl-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 53083092
1,3-dimethyl-N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 100891499
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357022
3-[4-[(4-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
CID 98610666
1-ethyl-4-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione
CID 92752267
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide
CID 39303950
1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-prop-2-enylquinoxaline-2,3-dione
CID 50802548
2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 22522552
N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 92666787
N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356945
1-(1H-benzimidazol-2-yl)-N-[3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide
CID 92876483

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide?
The IUPAC name of 2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide (CID 46357058) is 2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide?
The canonical SMILES for 2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide is Cc1cccc(N2CCN(CCCNC(=O)Cn3c(=O)c(=O)n(C)c4ccccc43)CC2C)c1.
What is the InChIKey of 2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide?
The InChIKey is ZKTSICPCGASZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-19-8-6-9-21(16-19)30-15-14-29(17-20(30)2)13-7-12-27-24(32)18-31-23-11-5-4-10-22(23)28(3)25(33)26(31)34/h4-6,8-11,16,20H,7,12-15,17-18H2,1-3H3,(H,27,32).
What are the key properties of 2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide?
2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide has a molecular weight of 463.58 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 46357058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).