6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione

C17H10BrNO2 — CID 14815096

IUPAC6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c(CBr)c(=O)c3ccccc3n21
InChIInChI=1S/C17H10BrNO2/c18-9-13-15-10-5-1-2-6-11(10)17(21)19(15)14-8-4-3-7-12(14)16(13)20/h1-8H,9H2
InChIKeyMVLMHQKNOQTHML-UHFFFAOYSA-N
MW340.18 g/mol
LogP3.57
Rot. Bonds1

About 6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione

6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione (PubChem CID 14815096) has the molecular formula C17H10BrNO2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione.

Molecular Properties

Compound Name6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione
PubChem CID14815096
Molecular FormulaC17H10BrNO2
Molecular Weight340.18 g/mol
Exact Mass338.99
IUPAC Name6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c(CBr)c(=O)c3ccccc3n21
InChIInChI=1S/C17H10BrNO2/c18-9-13-15-10-5-1-2-6-11(10)17(21)19(15)14-8-4-3-7-12(14)16(13)20/h1-8H,9H2
InChIKeyMVLMHQKNOQTHML-UHFFFAOYSA-N
XLogP3.57
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione?
The IUPAC name of 6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione (CID 14815096) is 6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione.
What is the SMILES notation for 6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione?
The canonical SMILES for 6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione is O=C1c2ccccc2-c2c(CBr)c(=O)c3ccccc3n21.
What is the InChIKey of 6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione?
The InChIKey is MVLMHQKNOQTHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrNO2/c18-9-13-15-10-5-1-2-6-11(10)17(21)19(15)14-8-4-3-7-12(14)16(13)20/h1-8H,9H2.
What are the key properties of 6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione?
6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione has a molecular weight of 340.18 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione is sourced from PubChem (CID 14815096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).