5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione

C8H3Cl3N2O2 — CID 10849325

IUPAC5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)c(Cl)c2[nH]c1=O
InChIInChI=1S/C8H3Cl3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)
InChIKeyMVCXAPXDPCEJBN-UHFFFAOYSA-N
MW265.48 g/mol
LogP2.18
Rot. Bonds

About 5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione

5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10849325) has the molecular formula C8H3Cl3N2O2 and a molecular weight of 265.48 g/mol. Its IUPAC name is 5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10849325
Molecular FormulaC8H3Cl3N2O2
Molecular Weight265.48 g/mol
Exact Mass263.93
IUPAC Name5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)c(Cl)c2[nH]c1=O
InChIInChI=1S/C8H3Cl3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)
InChIKeyMVCXAPXDPCEJBN-UHFFFAOYSA-N
XLogP2.18
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-1,4-dihydro-2,3-quinoxalinedione
CID 81143
Licostinel
CID 5486198
2,3-Dihydroxy-6,7-dichloroquinoxaline
CID 1845
7-Chloro-3,4-dihydro-1H-quinoxalin-2-one
CID 285323
5,7-Dichloro-1,4-dihydroquinoxaline-2,3-dione
CID 650260
2',3',4'-Trichloroacetanilide
CID 4461900
9,10-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,2-a]quinoxalin-5-one
CID 10199361
N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide
CID 10755760
5-Amino-6,7-dichloro-1,4-dihydro-2,3-quinoxalinedione
CID 10800420
6-Chloro-5,7-difluoro-1,4-dihydroquinoxaline-2,3-dione
CID 10823505
1-Carboxymethyl-6,7-dichloroquinoxaline-2,3(1h,4h)-dione
CID 19958555
N-(2-Amino-4,5-dichlorophenyl)acetamide
CID 304812

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione (CID 10849325) is 5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(Cl)c(Cl)c(Cl)c2[nH]c1=O.
What is the InChIKey of 5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is MVCXAPXDPCEJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15).
What are the key properties of 5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione?
5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 265.48 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trichloro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10849325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).