2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline

C16H12Cl2N2 — CID 2799107

IUPAC2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline
SMILESCc1cc2ncc(-c3ccc(Cl)c(Cl)c3)nc2cc1C
InChIInChI=1S/C16H12Cl2N2/c1-9-5-14-15(6-10(9)2)20-16(8-19-14)11-3-4-12(17)13(18)7-11/h3-8H,1-2H3
InChIKeyFAKOLCHUWYHGFZ-UHFFFAOYSA-N
MW303.19 g/mol
LogP5.22
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline

2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline (PubChem CID 2799107) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline
PubChem CID2799107
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline
SMILESCc1cc2ncc(-c3ccc(Cl)c(Cl)c3)nc2cc1C
InChIInChI=1S/C16H12Cl2N2/c1-9-5-14-15(6-10(9)2)20-16(8-19-14)11-3-4-12(17)13(18)7-11/h3-8H,1-2H3
InChIKeyFAKOLCHUWYHGFZ-UHFFFAOYSA-N
XLogP5.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline?
The IUPAC name of 2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline (CID 2799107) is 2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline is Cc1cc2ncc(-c3ccc(Cl)c(Cl)c3)nc2cc1C.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline?
The InChIKey is FAKOLCHUWYHGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c1-9-5-14-15(6-10(9)2)20-16(8-19-14)11-3-4-12(17)13(18)7-11/h3-8H,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline?
2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline has a molecular weight of 303.19 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6,7-dimethylquinoxaline is sourced from PubChem (CID 2799107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).