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

C17H15NO2 — CID 44560983

IUPAC3-(4-methoxyphenyl)-1-methylquinolin-4-one
SMILESCOc1ccc(-c2cn(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C17H15NO2/c1-18-11-15(12-7-9-13(20-2)10-8-12)17(19)14-5-3-4-6-16(14)18/h3-11H,1-2H3
InChIKeyITXDBURHXIJODG-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.21
Rot. Bonds2

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

3-(4-methoxyphenyl)-1-methylquinolin-4-one (PubChem CID 44560983) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methylquinolin-4-one
PubChem CID44560983
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-(4-methoxyphenyl)-1-methylquinolin-4-one
SMILESCOc1ccc(-c2cn(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C17H15NO2/c1-18-11-15(12-7-9-13(20-2)10-8-12)17(19)14-5-3-4-6-16(14)18/h3-11H,1-2H3
InChIKeyITXDBURHXIJODG-UHFFFAOYSA-N
XLogP3.21
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-methylquinolin-4-one (CID 44560983) is 3-(4-methoxyphenyl)-1-methylquinolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methylquinolin-4-one is COc1ccc(-c2cn(C)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methylquinolin-4-one?
The InChIKey is ITXDBURHXIJODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18-11-15(12-7-9-13(20-2)10-8-12)17(19)14-5-3-4-6-16(14)18/h3-11H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methylquinolin-4-one?
3-(4-methoxyphenyl)-1-methylquinolin-4-one has a molecular weight of 265.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methylquinolin-4-one is sourced from PubChem (CID 44560983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).