3-bromoquinolizin-4-one

C9H6BrNO — CID 824648

IUPAC3-bromoquinolizin-4-one
SMILESO=c1c(Br)ccc2ccccn12
InChIInChI=1S/C9H6BrNO/c10-8-5-4-7-3-1-2-6-11(7)9(8)12/h1-6H
InChIKeyBLINDGIQXUVTQH-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.06
Rot. Bonds

About 3-bromoquinolizin-4-one

3-bromoquinolizin-4-one (PubChem CID 824648) has the molecular formula C9H6BrNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 3-bromoquinolizin-4-one.

Molecular Properties

Compound Name3-bromoquinolizin-4-one
PubChem CID824648
Molecular FormulaC9H6BrNO
Molecular Weight224.06 g/mol
Exact Mass222.96
IUPAC Name3-bromoquinolizin-4-one
SMILESO=c1c(Br)ccc2ccccn12
InChIInChI=1S/C9H6BrNO/c10-8-5-4-7-3-1-2-6-11(7)9(8)12/h1-6H
InChIKeyBLINDGIQXUVTQH-UHFFFAOYSA-N
XLogP2.06
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromoquinolizin-4-one?
The IUPAC name of 3-bromoquinolizin-4-one (CID 824648) is 3-bromoquinolizin-4-one.
What is the SMILES notation for 3-bromoquinolizin-4-one?
The canonical SMILES for 3-bromoquinolizin-4-one is O=c1c(Br)ccc2ccccn12.
What is the InChIKey of 3-bromoquinolizin-4-one?
The InChIKey is BLINDGIQXUVTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO/c10-8-5-4-7-3-1-2-6-11(7)9(8)12/h1-6H.
What are the key properties of 3-bromoquinolizin-4-one?
3-bromoquinolizin-4-one has a molecular weight of 224.06 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoquinolizin-4-one is sourced from PubChem (CID 824648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).