2,3,8-trichloroquinoxalino[2,3-b]quinoxaline

C14H5Cl3N4 — CID 101466553

IUPAC2,3,8-trichloroquinoxalino[2,3-b]quinoxaline
SMILESClc1ccc2nc3nc4cc(Cl)c(Cl)cc4nc3nc2c1
InChIInChI=1S/C14H5Cl3N4/c15-6-1-2-9-10(3-6)19-14-13(18-9)20-11-4-7(16)8(17)5-12(11)21-14/h1-5H
InChIKeyPYHZJDHTKPYOOM-UHFFFAOYSA-N
MW335.58 g/mol
LogP4.69
Rot. Bonds

About 2,3,8-trichloroquinoxalino[2,3-b]quinoxaline

2,3,8-trichloroquinoxalino[2,3-b]quinoxaline (PubChem CID 101466553) has the molecular formula C14H5Cl3N4 and a molecular weight of 335.58 g/mol. Its IUPAC name is 2,3,8-trichloroquinoxalino[2,3-b]quinoxaline.

Molecular Properties

Compound Name2,3,8-trichloroquinoxalino[2,3-b]quinoxaline
PubChem CID101466553
Molecular FormulaC14H5Cl3N4
Molecular Weight335.58 g/mol
Exact Mass333.96
IUPAC Name2,3,8-trichloroquinoxalino[2,3-b]quinoxaline
SMILESClc1ccc2nc3nc4cc(Cl)c(Cl)cc4nc3nc2c1
InChIInChI=1S/C14H5Cl3N4/c15-6-1-2-9-10(3-6)19-14-13(18-9)20-11-4-7(16)8(17)5-12(11)21-14/h1-5H
InChIKeyPYHZJDHTKPYOOM-UHFFFAOYSA-N
XLogP4.69
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,3,8-trichlorophenazine
CID 154716543
2-bromo-8-chlorophenazine
CID 119028483
6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline
CID 21435971
7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine
CID 14147318
methane;1,2,4-trichlorobenzene
CID 157397102
3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine
CID 136704247
6-chloro-3-(4-chlorophenyl)-2-phenylquinoxaline
CID 132520838
7-chlorophenazine-2-sulfonamide
CID 121010927
sodium;hydride;1,2,4-trichlorobenzene
CID 173452443
1-bromo-10-chlorocinnolino[3,4-b]quinoxaline
CID 10641275
6-chloro-3-methylquinoxaline-2-carbaldehyde
CID 132512658
3,10-dichloroquinolino[2,3-c]cinnoline
CID 134997494

Frequently Asked Questions

What is the IUPAC name of 2,3,8-trichloroquinoxalino[2,3-b]quinoxaline?
The IUPAC name of 2,3,8-trichloroquinoxalino[2,3-b]quinoxaline (CID 101466553) is 2,3,8-trichloroquinoxalino[2,3-b]quinoxaline.
What is the SMILES notation for 2,3,8-trichloroquinoxalino[2,3-b]quinoxaline?
The canonical SMILES for 2,3,8-trichloroquinoxalino[2,3-b]quinoxaline is Clc1ccc2nc3nc4cc(Cl)c(Cl)cc4nc3nc2c1.
What is the InChIKey of 2,3,8-trichloroquinoxalino[2,3-b]quinoxaline?
The InChIKey is PYHZJDHTKPYOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5Cl3N4/c15-6-1-2-9-10(3-6)19-14-13(18-9)20-11-4-7(16)8(17)5-12(11)21-14/h1-5H.
What are the key properties of 2,3,8-trichloroquinoxalino[2,3-b]quinoxaline?
2,3,8-trichloroquinoxalino[2,3-b]quinoxaline has a molecular weight of 335.58 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8-trichloroquinoxalino[2,3-b]quinoxaline is sourced from PubChem (CID 101466553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).