2-(3-bromoquinolin-8-yl)isoindole-1,3-dione

C17H9BrN2O2 — CID 130744612

IUPAC2-(3-bromoquinolin-8-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc2cc(Br)cnc12
InChIInChI=1S/C17H9BrN2O2/c18-11-8-10-4-3-7-14(15(10)19-9-11)20-16(21)12-5-1-2-6-13(12)17(20)22/h1-9H
InChIKeyYSTXSNXJHCKYDU-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.80
Rot. Bonds1

About 2-(3-bromoquinolin-8-yl)isoindole-1,3-dione

2-(3-bromoquinolin-8-yl)isoindole-1,3-dione (PubChem CID 130744612) has the molecular formula C17H9BrN2O2 and a molecular weight of 353.18 g/mol. Its IUPAC name is 2-(3-bromoquinolin-8-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-bromoquinolin-8-yl)isoindole-1,3-dione
PubChem CID130744612
Molecular FormulaC17H9BrN2O2
Molecular Weight353.18 g/mol
Exact Mass351.98
IUPAC Name2-(3-bromoquinolin-8-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc2cc(Br)cnc12
InChIInChI=1S/C17H9BrN2O2/c18-11-8-10-4-3-7-14(15(10)19-9-11)20-16(21)12-5-1-2-6-13(12)17(20)22/h1-9H
InChIKeyYSTXSNXJHCKYDU-UHFFFAOYSA-N
XLogP3.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-bromoquinolin-8-yl)isoindole-1,3-dione?
The IUPAC name of 2-(3-bromoquinolin-8-yl)isoindole-1,3-dione (CID 130744612) is 2-(3-bromoquinolin-8-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-bromoquinolin-8-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-bromoquinolin-8-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc2cc(Br)cnc12.
What is the InChIKey of 2-(3-bromoquinolin-8-yl)isoindole-1,3-dione?
The InChIKey is YSTXSNXJHCKYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrN2O2/c18-11-8-10-4-3-7-14(15(10)19-9-11)20-16(21)12-5-1-2-6-13(12)17(20)22/h1-9H.
What are the key properties of 2-(3-bromoquinolin-8-yl)isoindole-1,3-dione?
2-(3-bromoquinolin-8-yl)isoindole-1,3-dione has a molecular weight of 353.18 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoquinolin-8-yl)isoindole-1,3-dione is sourced from PubChem (CID 130744612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).