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

C18H26N4O3 — CID 46356945

IUPACN-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
SMILESCCN(CC)CCCNC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21
InChIInChI=1S/C18H26N4O3/c1-4-21(5-2)12-8-11-19-16(23)13-22-15-10-7-6-9-14(15)20(3)17(24)18(22)25/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,19,23)
InChIKeyJDQAXCNQMMLQFW-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.55
Rot. Bonds8

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

N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide (PubChem CID 46356945) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
PubChem CID46356945
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
SMILESCCN(CC)CCCNC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21
InChIInChI=1S/C18H26N4O3/c1-4-21(5-2)12-8-11-19-16(23)13-22-15-10-7-6-9-14(15)20(3)17(24)18(22)25/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,19,23)
InChIKeyJDQAXCNQMMLQFW-UHFFFAOYSA-N
XLogP0.55
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(diethylamino)propyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295469
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357037
N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357022
N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001040
N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768123
N-[3-(diethylamino)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 22422688
N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 3126535
N-[3-(diethylamino)propyl]-2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide;oxalic acid
CID 163326811
N-[3-(diethylamino)propyl]-2-[(1R)-1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
CID 41145280
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18142814

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide (CID 46356945) is N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide is CCN(CC)CCCNC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The InChIKey is JDQAXCNQMMLQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-21(5-2)12-8-11-19-16(23)13-22-15-10-7-6-9-14(15)20(3)17(24)18(22)25/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,19,23).
What are the key properties of N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 46356945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).