2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide

C15H19N3O2 — CID 31482684

IUPAC2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-2-3-6-9-16-14(19)11-18-13-8-5-4-7-12(13)17-10-15(18)20/h4-5,7-8,10H,2-3,6,9,11H2,1H3,(H,16,19)
InChIKeyZISMWQZKOKFVQD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.70
Rot. Bonds6

About 2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide

2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide (PubChem CID 31482684) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
PubChem CID31482684
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-2-3-6-9-16-14(19)11-18-13-8-5-4-7-12(13)17-10-15(18)20/h4-5,7-8,10H,2-3,6,9,11H2,1H3,(H,16,19)
InChIKeyZISMWQZKOKFVQD-UHFFFAOYSA-N
XLogP1.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate
CID 31838969
N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 31591027
N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 111115882
N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 35013689
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 111119852
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 78810816
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 27332914
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
1-[4-(ethylamino)butyl]quinoxalin-2-one
CID 62562828

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide?
The IUPAC name of 2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide (CID 31482684) is 2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide?
The canonical SMILES for 2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide is CCCCCNC(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of 2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide?
The InChIKey is ZISMWQZKOKFVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-3-6-9-16-14(19)11-18-13-8-5-4-7-12(13)17-10-15(18)20/h4-5,7-8,10H,2-3,6,9,11H2,1H3,(H,16,19).
What are the key properties of 2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide?
2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide has a molecular weight of 273.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide is sourced from PubChem (CID 31482684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).