1-benzylquinolin-4-one

C16H13NO — CID 13249183

IUPAC1-benzylquinolin-4-one
SMILESO=c1ccn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C16H13NO/c18-16-10-11-17(12-13-6-2-1-3-7-13)15-9-5-4-8-14(15)16/h1-11H,12H2
InChIKeyKJOJZDHUUHJSOJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.05
Rot. Bonds2

About 1-benzylquinolin-4-one

1-benzylquinolin-4-one (PubChem CID 13249183) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-benzylquinolin-4-one.

Molecular Properties

Compound Name1-benzylquinolin-4-one
PubChem CID13249183
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1-benzylquinolin-4-one
SMILESO=c1ccn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C16H13NO/c18-16-10-11-17(12-13-6-2-1-3-7-13)15-9-5-4-8-14(15)16/h1-11H,12H2
InChIKeyKJOJZDHUUHJSOJ-UHFFFAOYSA-N
XLogP3.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzylquinolin-4-one?
The IUPAC name of 1-benzylquinolin-4-one (CID 13249183) is 1-benzylquinolin-4-one.
What is the SMILES notation for 1-benzylquinolin-4-one?
The canonical SMILES for 1-benzylquinolin-4-one is O=c1ccn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzylquinolin-4-one?
The InChIKey is KJOJZDHUUHJSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c18-16-10-11-17(12-13-6-2-1-3-7-13)15-9-5-4-8-14(15)16/h1-11H,12H2.
What are the key properties of 1-benzylquinolin-4-one?
1-benzylquinolin-4-one has a molecular weight of 235.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylquinolin-4-one is sourced from PubChem (CID 13249183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).