3-amino-8-bromoquinolizin-4-one

C9H7BrN2O — CID 115042956

IUPAC3-amino-8-bromoquinolizin-4-one
SMILESNc1ccc2cc(Br)ccn2c1=O
InChIInChI=1S/C9H7BrN2O/c10-6-3-4-12-7(5-6)1-2-8(11)9(12)13/h1-5H,11H2
InChIKeyBYFUQVNWTHQQPM-UHFFFAOYSA-N
MW239.07 g/mol
LogP1.64
Rot. Bonds

About 3-amino-8-bromoquinolizin-4-one

3-amino-8-bromoquinolizin-4-one (PubChem CID 115042956) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 3-amino-8-bromoquinolizin-4-one.

Molecular Properties

Compound Name3-amino-8-bromoquinolizin-4-one
PubChem CID115042956
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name3-amino-8-bromoquinolizin-4-one
SMILESNc1ccc2cc(Br)ccn2c1=O
InChIInChI=1S/C9H7BrN2O/c10-6-3-4-12-7(5-6)1-2-8(11)9(12)13/h1-5H,11H2
InChIKeyBYFUQVNWTHQQPM-UHFFFAOYSA-N
XLogP1.64
TPSA47.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-8-bromoquinolizin-4-one?
The IUPAC name of 3-amino-8-bromoquinolizin-4-one (CID 115042956) is 3-amino-8-bromoquinolizin-4-one.
What is the SMILES notation for 3-amino-8-bromoquinolizin-4-one?
The canonical SMILES for 3-amino-8-bromoquinolizin-4-one is Nc1ccc2cc(Br)ccn2c1=O.
What is the InChIKey of 3-amino-8-bromoquinolizin-4-one?
The InChIKey is BYFUQVNWTHQQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-6-3-4-12-7(5-6)1-2-8(11)9(12)13/h1-5H,11H2.
What are the key properties of 3-amino-8-bromoquinolizin-4-one?
3-amino-8-bromoquinolizin-4-one has a molecular weight of 239.07 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-bromoquinolizin-4-one is sourced from PubChem (CID 115042956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).