2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one

C11H10BrFN2O — CID 129248769

IUPAC2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one
SMILESNCCc1cc(=O)n2cc(F)ccc2c1Br
InChIInChI=1S/C11H10BrFN2O/c12-11-7(3-4-14)5-10(16)15-6-8(13)1-2-9(11)15/h1-2,5-6H,3-4,14H2
InChIKeyIOAIQMWWIWZWBS-UHFFFAOYSA-N
MW285.12 g/mol
LogP1.70
Rot. Bonds2

About 2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one

2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one (PubChem CID 129248769) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one
PubChem CID129248769
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one
SMILESNCCc1cc(=O)n2cc(F)ccc2c1Br
InChIInChI=1S/C11H10BrFN2O/c12-11-7(3-4-14)5-10(16)15-6-8(13)1-2-9(11)15/h1-2,5-6H,3-4,14H2
InChIKeyIOAIQMWWIWZWBS-UHFFFAOYSA-N
XLogP1.70
TPSA47.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one?
The IUPAC name of 2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one (CID 129248769) is 2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one?
The canonical SMILES for 2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one is NCCc1cc(=O)n2cc(F)ccc2c1Br.
What is the InChIKey of 2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one?
The InChIKey is IOAIQMWWIWZWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c12-11-7(3-4-14)5-10(16)15-6-8(13)1-2-9(11)15/h1-2,5-6H,3-4,14H2.
What are the key properties of 2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one?
2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one has a molecular weight of 285.12 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1-bromo-7-fluoroquinolizin-4-one is sourced from PubChem (CID 129248769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).