N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide

C10H7Cl2N3O3 — CID 10755760

IUPACN-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide
SMILESCC(=O)Nc1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C10H7Cl2N3O3/c1-3(16)13-8-6(12)4(11)2-5-7(8)15-10(18)9(17)14-5/h2H,1H3,(H,13,16)(H,14,17)(H,15,18)
InChIKeyZFROOXPLRVUBNK-UHFFFAOYSA-N
MW288.09 g/mol
LogP1.48
Rot. Bonds1

About N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide

N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide (PubChem CID 10755760) has the molecular formula C10H7Cl2N3O3 and a molecular weight of 288.09 g/mol. Its IUPAC name is N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide.

Molecular Properties

Compound NameN-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide
PubChem CID10755760
Molecular FormulaC10H7Cl2N3O3
Molecular Weight288.09 g/mol
Exact Mass286.99
IUPAC NameN-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide
SMILESCC(=O)Nc1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C10H7Cl2N3O3/c1-3(16)13-8-6(12)4(11)2-5-7(8)15-10(18)9(17)14-5/h2H,1H3,(H,13,16)(H,14,17)(H,15,18)
InChIKeyZFROOXPLRVUBNK-UHFFFAOYSA-N
XLogP1.48
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide?
The IUPAC name of N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide (CID 10755760) is N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide.
What is the SMILES notation for N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide?
The canonical SMILES for N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide is CC(=O)Nc1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide?
The InChIKey is ZFROOXPLRVUBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O3/c1-3(16)13-8-6(12)4(11)2-5-7(8)15-10(18)9(17)14-5/h2H,1H3,(H,13,16)(H,14,17)(H,15,18).
What are the key properties of N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide?
N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide has a molecular weight of 288.09 g/mol, XLogP of 1.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide is sourced from PubChem (CID 10755760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).