7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline

C17H13BrN2 — CID 147391358

IUPAC7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline
SMILESCC1(C)c2ccc(Br)cc2-c2cc3nccnc3cc21
InChIInChI=1S/C17H13BrN2/c1-17(2)13-4-3-10(18)7-11(13)12-8-15-16(9-14(12)17)20-6-5-19-15/h3-9H,1-2H3
InChIKeyDMXUOUYRDWDJOF-UHFFFAOYSA-N
MW325.21 g/mol
LogP4.70
Rot. Bonds

About 7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline

7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline (PubChem CID 147391358) has the molecular formula C17H13BrN2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline.

Molecular Properties

Compound Name7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline
PubChem CID147391358
Molecular FormulaC17H13BrN2
Molecular Weight325.21 g/mol
Exact Mass324.03
IUPAC Name7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline
SMILESCC1(C)c2ccc(Br)cc2-c2cc3nccnc3cc21
InChIInChI=1S/C17H13BrN2/c1-17(2)13-4-3-10(18)7-11(13)12-8-15-16(9-14(12)17)20-6-5-19-15/h3-9H,1-2H3
InChIKeyDMXUOUYRDWDJOF-UHFFFAOYSA-N
XLogP4.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline?
The IUPAC name of 7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline (CID 147391358) is 7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline.
What is the SMILES notation for 7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline?
The canonical SMILES for 7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline is CC1(C)c2ccc(Br)cc2-c2cc3nccnc3cc21.
What is the InChIKey of 7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline?
The InChIKey is DMXUOUYRDWDJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2/c1-17(2)13-4-3-10(18)7-11(13)12-8-15-16(9-14(12)17)20-6-5-19-15/h3-9H,1-2H3.
What are the key properties of 7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline?
7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline has a molecular weight of 325.21 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-10,10-dimethylindeno[1,2-g]quinoxaline is sourced from PubChem (CID 147391358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).