2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione

C16H8BrN3O2 — CID 130690018

IUPAC2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc2nccnc2c1Br
InChIInChI=1S/C16H8BrN3O2/c17-13-12(6-5-11-14(13)19-8-7-18-11)20-15(21)9-3-1-2-4-10(9)16(20)22/h1-8H
InChIKeyCZOHBFTVIXUDRB-UHFFFAOYSA-N
MW354.16 g/mol
LogP3.19
Rot. Bonds1

About 2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione

2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione (PubChem CID 130690018) has the molecular formula C16H8BrN3O2 and a molecular weight of 354.16 g/mol. Its IUPAC name is 2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione
PubChem CID130690018
Molecular FormulaC16H8BrN3O2
Molecular Weight354.16 g/mol
Exact Mass352.98
IUPAC Name2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc2nccnc2c1Br
InChIInChI=1S/C16H8BrN3O2/c17-13-12(6-5-11-14(13)19-8-7-18-11)20-15(21)9-3-1-2-4-10(9)16(20)22/h1-8H
InChIKeyCZOHBFTVIXUDRB-UHFFFAOYSA-N
XLogP3.19
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione?
The IUPAC name of 2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione (CID 130690018) is 2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc2nccnc2c1Br.
What is the InChIKey of 2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione?
The InChIKey is CZOHBFTVIXUDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrN3O2/c17-13-12(6-5-11-14(13)19-8-7-18-11)20-15(21)9-3-1-2-4-10(9)16(20)22/h1-8H.
What are the key properties of 2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione?
2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione has a molecular weight of 354.16 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoquinoxalin-6-yl)isoindole-1,3-dione is sourced from PubChem (CID 130690018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).