1-bromo-10-chlorocinnolino[3,4-b]quinoxaline

C14H6BrClN4 — CID 10641275

IUPAC1-bromo-10-chlorocinnolino[3,4-b]quinoxaline
SMILESClc1ccc2nc3nnc4cccc(Br)c4c3nc2c1
InChIInChI=1S/C14H6BrClN4/c15-8-2-1-3-10-12(8)13-14(20-19-10)18-9-5-4-7(16)6-11(9)17-13/h1-6H
InChIKeyWHLRKLRLRZRHGT-UHFFFAOYSA-N
MW345.59 g/mol
LogP4.14
Rot. Bonds

About 1-bromo-10-chlorocinnolino[3,4-b]quinoxaline

1-bromo-10-chlorocinnolino[3,4-b]quinoxaline (PubChem CID 10641275) has the molecular formula C14H6BrClN4 and a molecular weight of 345.59 g/mol. Its IUPAC name is 1-bromo-10-chlorocinnolino[3,4-b]quinoxaline.

Molecular Properties

Compound Name1-bromo-10-chlorocinnolino[3,4-b]quinoxaline
PubChem CID10641275
Molecular FormulaC14H6BrClN4
Molecular Weight345.59 g/mol
Exact Mass343.95
IUPAC Name1-bromo-10-chlorocinnolino[3,4-b]quinoxaline
SMILESClc1ccc2nc3nnc4cccc(Br)c4c3nc2c1
InChIInChI=1S/C14H6BrClN4/c15-8-2-1-3-10-12(8)13-14(20-19-10)18-9-5-4-7(16)6-11(9)17-13/h1-6H
InChIKeyWHLRKLRLRZRHGT-UHFFFAOYSA-N
XLogP4.14
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.59
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,3,8-trichloroquinoxalino[2,3-b]quinoxaline
CID 101466553
2-bromo-8-chlorophenazine
CID 119028483
1,3,8-trichlorophenazine
CID 154716543
4-chlorocinnolino[4,3-b]quinoxaline
CID 10445667
3,10-dichloroquinolino[2,3-c]cinnoline
CID 134997494
3-bromo-7-chlorocinnoline
CID 53423850
5-bromo-4-chloro-2-fluoroquinazoline
CID 90968400
7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one
CID 135822658
4-bromo-2-chlorophenazin-1-ol
CID 137126057
7-chloro-N-methyl-[1,3]thiazolo[4,5-b]quinoxalin-2-amine
CID 14147318
5-chloro-1-(2,6-dibromophenyl)benzimidazol-2-amine
CID 107601326
1,4-dibromophenazine
CID 121006625

Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-chlorocinnolino[3,4-b]quinoxaline?
The IUPAC name of 1-bromo-10-chlorocinnolino[3,4-b]quinoxaline (CID 10641275) is 1-bromo-10-chlorocinnolino[3,4-b]quinoxaline.
What is the SMILES notation for 1-bromo-10-chlorocinnolino[3,4-b]quinoxaline?
The canonical SMILES for 1-bromo-10-chlorocinnolino[3,4-b]quinoxaline is Clc1ccc2nc3nnc4cccc(Br)c4c3nc2c1.
What is the InChIKey of 1-bromo-10-chlorocinnolino[3,4-b]quinoxaline?
The InChIKey is WHLRKLRLRZRHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrClN4/c15-8-2-1-3-10-12(8)13-14(20-19-10)18-9-5-4-7(16)6-11(9)17-13/h1-6H.
What are the key properties of 1-bromo-10-chlorocinnolino[3,4-b]quinoxaline?
1-bromo-10-chlorocinnolino[3,4-b]quinoxaline has a molecular weight of 345.59 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-chlorocinnolino[3,4-b]quinoxaline is sourced from PubChem (CID 10641275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).