2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline

C24H18BrN3 — CID 73294575

IUPAC2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline
SMILESCc1cc2nc(-c3ccccc3)c(-n3ccc4c(Br)cccc43)nc2cc1C
InChIInChI=1S/C24H18BrN3/c1-15-13-20-21(14-16(15)2)27-24(23(26-20)17-7-4-3-5-8-17)28-12-11-18-19(25)9-6-10-22(18)28/h3-14H,1-2H3
InChIKeyCZLUPTVRNZMFRD-UHFFFAOYSA-N
MW428.33 g/mol
LogP6.62
Rot. Bonds2

About 2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline

2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline (PubChem CID 73294575) has the molecular formula C24H18BrN3 and a molecular weight of 428.33 g/mol. Its IUPAC name is 2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline
PubChem CID73294575
Molecular FormulaC24H18BrN3
Molecular Weight428.33 g/mol
Exact Mass427.07
IUPAC Name2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline
SMILESCc1cc2nc(-c3ccccc3)c(-n3ccc4c(Br)cccc43)nc2cc1C
InChIInChI=1S/C24H18BrN3/c1-15-13-20-21(14-16(15)2)27-24(23(26-20)17-7-4-3-5-8-17)28-12-11-18-19(25)9-6-10-22(18)28/h3-14H,1-2H3
InChIKeyCZLUPTVRNZMFRD-UHFFFAOYSA-N
XLogP6.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.33
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline 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-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline?
The IUPAC name of 2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline (CID 73294575) is 2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline.
What is the SMILES notation for 2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline?
The canonical SMILES for 2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline is Cc1cc2nc(-c3ccccc3)c(-n3ccc4c(Br)cccc43)nc2cc1C.
What is the InChIKey of 2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline?
The InChIKey is CZLUPTVRNZMFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3/c1-15-13-20-21(14-16(15)2)27-24(23(26-20)17-7-4-3-5-8-17)28-12-11-18-19(25)9-6-10-22(18)28/h3-14H,1-2H3.
What are the key properties of 2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline?
2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline has a molecular weight of 428.33 g/mol, XLogP of 6.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoindol-1-yl)-6,7-dimethyl-3-phenylquinoxaline is sourced from PubChem (CID 73294575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).