5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide

C13H14BrN3O3 — CID 107908877

IUPAC5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide
SMILESO=C(CCCCBr)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C13H14BrN3O3/c14-6-2-1-3-11(18)15-8-4-5-9-10(7-8)17-13(20)12(19)16-9/h4-5,7H,1-3,6H2,(H,15,18)(H,16,19)(H,17,20)
InChIKeyHWBTXYQRSIYJPW-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.72
Rot. Bonds5

About 5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide

5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide (PubChem CID 107908877) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide
PubChem CID107908877
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Name5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide
SMILESO=C(CCCCBr)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C13H14BrN3O3/c14-6-2-1-3-11(18)15-8-4-5-9-10(7-8)17-13(20)12(19)16-9/h4-5,7H,1-3,6H2,(H,15,18)(H,16,19)(H,17,20)
InChIKeyHWBTXYQRSIYJPW-UHFFFAOYSA-N
XLogP1.72
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid
CID 62231775
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxobutanamide
CID 61249007
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-methoxyacetamide
CID 60701020
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
CID 60700393
3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide
CID 17466693
7-bromo-N-phenylheptanamide
CID 11266084
3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide
CID 60836174
5-bromo-N-(3,4-dicyanophenyl)pentanamide
CID 114014947
5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 107908652
11-bromo-N-(4-methoxyphenyl)undecanamide
CID 51058288
3-(5-bromopentanoylamino)benzoic acid
CID 107908251
5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 107909041

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide?
The IUPAC name of 5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide (CID 107908877) is 5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide?
The canonical SMILES for 5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide is O=C(CCCCBr)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide?
The InChIKey is HWBTXYQRSIYJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c14-6-2-1-3-11(18)15-8-4-5-9-10(7-8)17-13(20)12(19)16-9/h4-5,7H,1-3,6H2,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of 5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide?
5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide has a molecular weight of 340.18 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide is sourced from PubChem (CID 107908877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).