3-benzyl-4-hydroxy-1-phenylquinolin-2-one

C22H17NO2 — CID 54690354

IUPAC3-benzyl-4-hydroxy-1-phenylquinolin-2-one
SMILESO=c1c(Cc2ccccc2)c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21-18-13-7-8-14-20(18)23(17-11-5-2-6-12-17)22(25)19(21)15-16-9-3-1-4-10-16/h1-14,24H,15H2
InChIKeyXYZVKUSTVPKIKZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.29
Rot. Bonds3

About 3-benzyl-4-hydroxy-1-phenylquinolin-2-one

3-benzyl-4-hydroxy-1-phenylquinolin-2-one (PubChem CID 54690354) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-1-phenylquinolin-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-1-phenylquinolin-2-one
PubChem CID54690354
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name3-benzyl-4-hydroxy-1-phenylquinolin-2-one
SMILESO=c1c(Cc2ccccc2)c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21-18-13-7-8-14-20(18)23(17-11-5-2-6-12-17)22(25)19(21)15-16-9-3-1-4-10-16/h1-14,24H,15H2
InChIKeyXYZVKUSTVPKIKZ-UHFFFAOYSA-N
XLogP4.29
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-1-phenylquinolin-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-1-phenylquinolin-2-one (CID 54690354) is 3-benzyl-4-hydroxy-1-phenylquinolin-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-1-phenylquinolin-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-1-phenylquinolin-2-one is O=c1c(Cc2ccccc2)c(O)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 3-benzyl-4-hydroxy-1-phenylquinolin-2-one?
The InChIKey is XYZVKUSTVPKIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-21-18-13-7-8-14-20(18)23(17-11-5-2-6-12-17)22(25)19(21)15-16-9-3-1-4-10-16/h1-14,24H,15H2.
What are the key properties of 3-benzyl-4-hydroxy-1-phenylquinolin-2-one?
3-benzyl-4-hydroxy-1-phenylquinolin-2-one has a molecular weight of 327.38 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-1-phenylquinolin-2-one is sourced from PubChem (CID 54690354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).