1-benzyl-4-hydroxyquinolin-2-one

C16H13NO2 — CID 54680863

IUPAC1-benzyl-4-hydroxyquinolin-2-one
SMILESO=c1cc(O)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H13NO2/c18-15-10-16(19)17(11-12-6-2-1-3-7-12)14-9-5-4-8-13(14)15/h1-10,18H,11H2
InChIKeyZBYILUVKUROMNA-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.76
Rot. Bonds2

About 1-benzyl-4-hydroxyquinolin-2-one

1-benzyl-4-hydroxyquinolin-2-one (PubChem CID 54680863) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-benzyl-4-hydroxyquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-4-hydroxyquinolin-2-one
PubChem CID54680863
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name1-benzyl-4-hydroxyquinolin-2-one
SMILESO=c1cc(O)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H13NO2/c18-15-10-16(19)17(11-12-6-2-1-3-7-12)14-9-5-4-8-13(14)15/h1-10,18H,11H2
InChIKeyZBYILUVKUROMNA-UHFFFAOYSA-N
XLogP2.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxyquinolin-2-one?
The IUPAC name of 1-benzyl-4-hydroxyquinolin-2-one (CID 54680863) is 1-benzyl-4-hydroxyquinolin-2-one.
What is the SMILES notation for 1-benzyl-4-hydroxyquinolin-2-one?
The canonical SMILES for 1-benzyl-4-hydroxyquinolin-2-one is O=c1cc(O)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-hydroxyquinolin-2-one?
The InChIKey is ZBYILUVKUROMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-15-10-16(19)17(11-12-6-2-1-3-7-12)14-9-5-4-8-13(14)15/h1-10,18H,11H2.
What are the key properties of 1-benzyl-4-hydroxyquinolin-2-one?
1-benzyl-4-hydroxyquinolin-2-one has a molecular weight of 251.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxyquinolin-2-one is sourced from PubChem (CID 54680863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).