2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline

C30H22BCl5N4O2 — CID 159414188

IUPAC2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1-c1cc(Cl)cc(Cl)c1.Cc1nc2ccccc2nc1Cl.OB(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10Cl2N2.C9H7ClN2.C6H5BCl2O2/c1-9-15(10-6-11(16)8-12(17)7-10)19-14-5-3-2-4-13(14)18-9;1-6-9(10)12-8-5-3-2-4-7(8)11-6;8-5-1-4(7(10)11)2-6(9)3-5/h2-8H,1H3;2-5H,1H3;1-3,10-11H
InChIKeyLOYMMQBXLHOMBB-UHFFFAOYSA-N
MW658.61 g/mol
LogP8.18
Rot. Bonds2

About 2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline

2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline (PubChem CID 159414188) has the molecular formula C30H22BCl5N4O2 and a molecular weight of 658.61 g/mol. Its IUPAC name is 2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline.

Molecular Properties

Compound Name2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline
PubChem CID159414188
Molecular FormulaC30H22BCl5N4O2
Molecular Weight658.61 g/mol
Exact Mass656.03
IUPAC Name2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1-c1cc(Cl)cc(Cl)c1.Cc1nc2ccccc2nc1Cl.OB(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10Cl2N2.C9H7ClN2.C6H5BCl2O2/c1-9-15(10-6-11(16)8-12(17)7-10)19-14-5-3-2-4-13(14)18-9;1-6-9(10)12-8-5-3-2-4-7(8)11-6;8-5-1-4(7(10)11)2-6(9)3-5/h2-8H,1H3;2-5H,1H3;1-3,10-11H
InChIKeyLOYMMQBXLHOMBB-UHFFFAOYSA-N
XLogP8.18
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.61
LogP ≤ 58.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline?
The IUPAC name of 2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline (CID 159414188) is 2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline.
What is the SMILES notation for 2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline?
The canonical SMILES for 2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline is Cc1nc2ccccc2nc1-c1cc(Cl)cc(Cl)c1.Cc1nc2ccccc2nc1Cl.OB(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline?
The InChIKey is LOYMMQBXLHOMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2.C9H7ClN2.C6H5BCl2O2/c1-9-15(10-6-11(16)8-12(17)7-10)19-14-5-3-2-4-13(14)18-9;1-6-9(10)12-8-5-3-2-4-7(8)11-6;8-5-1-4(7(10)11)2-6(9)3-5/h2-8H,1H3;2-5H,1H3;1-3,10-11H.
What are the key properties of 2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline?
2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline has a molecular weight of 658.61 g/mol, XLogP of 8.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylquinoxaline;(3,5-dichlorophenyl)boronic acid;2-(3,5-dichlorophenyl)-3-methylquinoxaline is sourced from PubChem (CID 159414188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).