2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline

C22H14BrN3 — CID 3055874

IUPAC2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline
SMILESBrc1ccc(-c2cc3nc4ccccc4nc3n2-c2ccccc2)cc1
InChIInChI=1S/C22H14BrN3/c23-16-12-10-15(11-13-16)21-14-20-22(26(21)17-6-2-1-3-7-17)25-19-9-5-4-8-18(19)24-20/h1-14H
InChIKeyGIZIWYMSKYGJLK-UHFFFAOYSA-N
MW400.28 g/mol
LogP6.00
Rot. Bonds2

About 2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline

2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline (PubChem CID 3055874) has the molecular formula C22H14BrN3 and a molecular weight of 400.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline
PubChem CID3055874
Molecular FormulaC22H14BrN3
Molecular Weight400.28 g/mol
Exact Mass399.04
IUPAC Name2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline
SMILESBrc1ccc(-c2cc3nc4ccccc4nc3n2-c2ccccc2)cc1
InChIInChI=1S/C22H14BrN3/c23-16-12-10-15(11-13-16)21-14-20-22(26(21)17-6-2-1-3-7-17)25-19-9-5-4-8-18(19)24-20/h1-14H
InChIKeyGIZIWYMSKYGJLK-UHFFFAOYSA-N
XLogP6.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.28
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline?
The IUPAC name of 2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline (CID 3055874) is 2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline.
What is the SMILES notation for 2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline?
The canonical SMILES for 2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline is Brc1ccc(-c2cc3nc4ccccc4nc3n2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline?
The InChIKey is GIZIWYMSKYGJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrN3/c23-16-12-10-15(11-13-16)21-14-20-22(26(21)17-6-2-1-3-7-17)25-19-9-5-4-8-18(19)24-20/h1-14H.
What are the key properties of 2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline?
2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline has a molecular weight of 400.28 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline is sourced from PubChem (CID 3055874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).