6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one

C17H14BrNO2 — CID 166442294

IUPAC6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one
SMILESCOc1ccc(-c2cn(C)c3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C17H14BrNO2/c1-19-10-15(11-3-6-13(21-2)7-4-11)17(20)14-9-12(18)5-8-16(14)19/h3-10H,1-2H3
InChIKeyZOAFYJZUHGMLET-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.98
Rot. Bonds2

About 6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one

6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one (PubChem CID 166442294) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one
PubChem CID166442294
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one
SMILESCOc1ccc(-c2cn(C)c3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C17H14BrNO2/c1-19-10-15(11-3-6-13(21-2)7-4-11)17(20)14-9-12(18)5-8-16(14)19/h3-10H,1-2H3
InChIKeyZOAFYJZUHGMLET-UHFFFAOYSA-N
XLogP3.98
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The IUPAC name of 6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one (CID 166442294) is 6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one.
What is the SMILES notation for 6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The canonical SMILES for 6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one is COc1ccc(-c2cn(C)c3ccc(Br)cc3c2=O)cc1.
What is the InChIKey of 6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The InChIKey is ZOAFYJZUHGMLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-19-10-15(11-3-6-13(21-2)7-4-11)17(20)14-9-12(18)5-8-16(14)19/h3-10H,1-2H3.
What are the key properties of 6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one?
6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one has a molecular weight of 344.21 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one is sourced from PubChem (CID 166442294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).