8-bromoquinolizin-4-one

C9H6BrNO — CID 146049365

IUPAC8-bromoquinolizin-4-one
SMILESO=c1cccc2cc(Br)ccn12
InChIInChI=1S/C9H6BrNO/c10-7-4-5-11-8(6-7)2-1-3-9(11)12/h1-6H
InChIKeyMZFDNPGGGHEXLO-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.06
Rot. Bonds

About 8-bromoquinolizin-4-one

8-bromoquinolizin-4-one (PubChem CID 146049365) has the molecular formula C9H6BrNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 8-bromoquinolizin-4-one.

Molecular Properties

Compound Name8-bromoquinolizin-4-one
PubChem CID146049365
Molecular FormulaC9H6BrNO
Molecular Weight224.06 g/mol
Exact Mass222.96
IUPAC Name8-bromoquinolizin-4-one
SMILESO=c1cccc2cc(Br)ccn12
InChIInChI=1S/C9H6BrNO/c10-7-4-5-11-8(6-7)2-1-3-9(11)12/h1-6H
InChIKeyMZFDNPGGGHEXLO-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 8-bromoquinolizin-4-one?
The IUPAC name of 8-bromoquinolizin-4-one (CID 146049365) is 8-bromoquinolizin-4-one.
What is the SMILES notation for 8-bromoquinolizin-4-one?
The canonical SMILES for 8-bromoquinolizin-4-one is O=c1cccc2cc(Br)ccn12.
What is the InChIKey of 8-bromoquinolizin-4-one?
The InChIKey is MZFDNPGGGHEXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO/c10-7-4-5-11-8(6-7)2-1-3-9(11)12/h1-6H.
What are the key properties of 8-bromoquinolizin-4-one?
8-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 8-bromoquinolizin-4-one is sourced from PubChem (CID 146049365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).