N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide

C13H8IN3O3S — CID 79691671

IUPACN-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1csc(I)c1
InChIInChI=1S/C13H8IN3O3S/c14-10-3-6(5-21-10)11(18)15-7-1-2-8-9(4-7)17-13(20)12(19)16-8/h1-5H,(H,15,18)(H,16,19)(H,17,20)
InChIKeyZGJZRWZENYAFNM-UHFFFAOYSA-N
MW413.20 g/mol
LogP2.13
Rot. Bonds2

About N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide

N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide (PubChem CID 79691671) has the molecular formula C13H8IN3O3S and a molecular weight of 413.20 g/mol. Its IUPAC name is N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide
PubChem CID79691671
Molecular FormulaC13H8IN3O3S
Molecular Weight413.20 g/mol
Exact Mass412.93
IUPAC NameN-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1csc(I)c1
InChIInChI=1S/C13H8IN3O3S/c14-10-3-6(5-21-10)11(18)15-7-1-2-8-9(4-7)17-13(20)12(19)16-8/h1-5H,(H,15,18)(H,16,19)(H,17,20)
InChIKeyZGJZRWZENYAFNM-UHFFFAOYSA-N
XLogP2.13
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.20
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(4-carbamothioylphenyl)-5-iodothiophene-3-carboxamide
CID 79693852
N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474514
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide
CID 46249095
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
CID 60700393
2,3-dioxo-N-[2-(phenylsulfamoyl)phenyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 23474616
N-(3-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78948945
N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 82864413
5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide
CID 78948690
N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78949254
5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 78949352
N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 78948733

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide (CID 79691671) is N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide is O=C(Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1csc(I)c1.
What is the InChIKey of N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is ZGJZRWZENYAFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8IN3O3S/c14-10-3-6(5-21-10)11(18)15-7-1-2-8-9(4-7)17-13(20)12(19)16-8/h1-5H,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide?
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 413.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79691671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).