3-bromo-7-methylquinolizin-4-one

C10H8BrNO — CID 115042429

IUPAC3-bromo-7-methylquinolizin-4-one
SMILESCc1ccc2ccc(Br)c(=O)n2c1
InChIInChI=1S/C10H8BrNO/c1-7-2-3-8-4-5-9(11)10(13)12(8)6-7/h2-6H,1H3
InChIKeyUTNJKEGIAVXJJM-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.37
Rot. Bonds

About 3-bromo-7-methylquinolizin-4-one

3-bromo-7-methylquinolizin-4-one (PubChem CID 115042429) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 3-bromo-7-methylquinolizin-4-one.

Molecular Properties

Compound Name3-bromo-7-methylquinolizin-4-one
PubChem CID115042429
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name3-bromo-7-methylquinolizin-4-one
SMILESCc1ccc2ccc(Br)c(=O)n2c1
InChIInChI=1S/C10H8BrNO/c1-7-2-3-8-4-5-9(11)10(13)12(8)6-7/h2-6H,1H3
InChIKeyUTNJKEGIAVXJJM-UHFFFAOYSA-N
XLogP2.37
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methylquinolizin-4-one?
The IUPAC name of 3-bromo-7-methylquinolizin-4-one (CID 115042429) is 3-bromo-7-methylquinolizin-4-one.
What is the SMILES notation for 3-bromo-7-methylquinolizin-4-one?
The canonical SMILES for 3-bromo-7-methylquinolizin-4-one is Cc1ccc2ccc(Br)c(=O)n2c1.
What is the InChIKey of 3-bromo-7-methylquinolizin-4-one?
The InChIKey is UTNJKEGIAVXJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-7-2-3-8-4-5-9(11)10(13)12(8)6-7/h2-6H,1H3.
What are the key properties of 3-bromo-7-methylquinolizin-4-one?
3-bromo-7-methylquinolizin-4-one has a molecular weight of 238.08 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methylquinolizin-4-one is sourced from PubChem (CID 115042429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).