2-acetyl-3-bromo-6-methylquinolizin-4-one

C12H10BrNO2 — CID 118627616

IUPAC2-acetyl-3-bromo-6-methylquinolizin-4-one
SMILESCC(=O)c1cc2cccc(C)n2c(=O)c1Br
InChIInChI=1S/C12H10BrNO2/c1-7-4-3-5-9-6-10(8(2)15)11(13)12(16)14(7)9/h3-6H,1-2H3
InChIKeyAZUVSJJBAJQYDQ-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.57
Rot. Bonds1

About 2-acetyl-3-bromo-6-methylquinolizin-4-one

2-acetyl-3-bromo-6-methylquinolizin-4-one (PubChem CID 118627616) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-acetyl-3-bromo-6-methylquinolizin-4-one.

Molecular Properties

Compound Name2-acetyl-3-bromo-6-methylquinolizin-4-one
PubChem CID118627616
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name2-acetyl-3-bromo-6-methylquinolizin-4-one
SMILESCC(=O)c1cc2cccc(C)n2c(=O)c1Br
InChIInChI=1S/C12H10BrNO2/c1-7-4-3-5-9-6-10(8(2)15)11(13)12(16)14(7)9/h3-6H,1-2H3
InChIKeyAZUVSJJBAJQYDQ-UHFFFAOYSA-N
XLogP2.57
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-bromo-6-methylquinolizin-4-one?
The IUPAC name of 2-acetyl-3-bromo-6-methylquinolizin-4-one (CID 118627616) is 2-acetyl-3-bromo-6-methylquinolizin-4-one.
What is the SMILES notation for 2-acetyl-3-bromo-6-methylquinolizin-4-one?
The canonical SMILES for 2-acetyl-3-bromo-6-methylquinolizin-4-one is CC(=O)c1cc2cccc(C)n2c(=O)c1Br.
What is the InChIKey of 2-acetyl-3-bromo-6-methylquinolizin-4-one?
The InChIKey is AZUVSJJBAJQYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-7-4-3-5-9-6-10(8(2)15)11(13)12(16)14(7)9/h3-6H,1-2H3.
What are the key properties of 2-acetyl-3-bromo-6-methylquinolizin-4-one?
2-acetyl-3-bromo-6-methylquinolizin-4-one has a molecular weight of 280.12 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-bromo-6-methylquinolizin-4-one is sourced from PubChem (CID 118627616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).