3-benzyl-1-methylquinolin-4-one

C17H15NO — CID 10988673

IUPAC3-benzyl-1-methylquinolin-4-one
SMILESCn1cc(Cc2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C17H15NO/c1-18-12-14(11-13-7-3-2-4-8-13)17(19)15-9-5-6-10-16(15)18/h2-10,12H,11H2,1H3
InChIKeyGHDUKNGUSIGLIQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.13
Rot. Bonds2

About 3-benzyl-1-methylquinolin-4-one

3-benzyl-1-methylquinolin-4-one (PubChem CID 10988673) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-benzyl-1-methylquinolin-4-one.

Molecular Properties

Compound Name3-benzyl-1-methylquinolin-4-one
PubChem CID10988673
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name3-benzyl-1-methylquinolin-4-one
SMILESCn1cc(Cc2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C17H15NO/c1-18-12-14(11-13-7-3-2-4-8-13)17(19)15-9-5-6-10-16(15)18/h2-10,12H,11H2,1H3
InChIKeyGHDUKNGUSIGLIQ-UHFFFAOYSA-N
XLogP3.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methylquinolin-4-one?
The IUPAC name of 3-benzyl-1-methylquinolin-4-one (CID 10988673) is 3-benzyl-1-methylquinolin-4-one.
What is the SMILES notation for 3-benzyl-1-methylquinolin-4-one?
The canonical SMILES for 3-benzyl-1-methylquinolin-4-one is Cn1cc(Cc2ccccc2)c(=O)c2ccccc21.
What is the InChIKey of 3-benzyl-1-methylquinolin-4-one?
The InChIKey is GHDUKNGUSIGLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-18-12-14(11-13-7-3-2-4-8-13)17(19)15-9-5-6-10-16(15)18/h2-10,12H,11H2,1H3.
What are the key properties of 3-benzyl-1-methylquinolin-4-one?
3-benzyl-1-methylquinolin-4-one has a molecular weight of 249.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methylquinolin-4-one is sourced from PubChem (CID 10988673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).