3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione

C9H8BrNO2 — CID 28811865

IUPAC3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1CCCc2[nH]c(=O)c(Br)cc21
InChIInChI=1S/C9H8BrNO2/c10-6-4-5-7(11-9(6)13)2-1-3-8(5)12/h4H,1-3H2,(H,11,13)
InChIKeyZUZPIYJDWRUYNA-UHFFFAOYSA-N
MW242.07 g/mol
LogP1.66
Rot. Bonds

About 3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione

3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 28811865) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID28811865
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1CCCc2[nH]c(=O)c(Br)cc21
InChIInChI=1S/C9H8BrNO2/c10-6-4-5-7(11-9(6)13)2-1-3-8(5)12/h4H,1-3H2,(H,11,13)
InChIKeyZUZPIYJDWRUYNA-UHFFFAOYSA-N
XLogP1.66
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 28811865) is 3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione is O=C1CCCc2[nH]c(=O)c(Br)cc21.
What is the InChIKey of 3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is ZUZPIYJDWRUYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c10-6-4-5-7(11-9(6)13)2-1-3-8(5)12/h4H,1-3H2,(H,11,13).
What are the key properties of 3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione?
3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 242.07 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 28811865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).