1,3-dibenzyl-4-hydroxyquinolin-2-one

C23H19NO2 — CID 54687622

IUPAC1,3-dibenzyl-4-hydroxyquinolin-2-one
SMILESO=c1c(Cc2ccccc2)c(O)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C23H19NO2/c25-22-19-13-7-8-14-21(19)24(16-18-11-5-2-6-12-18)23(26)20(22)15-17-9-3-1-4-10-17/h1-14,25H,15-16H2
InChIKeyZIWVYRMHGBBTTH-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.35
Rot. Bonds4

About 1,3-dibenzyl-4-hydroxyquinolin-2-one

1,3-dibenzyl-4-hydroxyquinolin-2-one (PubChem CID 54687622) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1,3-dibenzyl-4-hydroxyquinolin-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-4-hydroxyquinolin-2-one
PubChem CID54687622
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name1,3-dibenzyl-4-hydroxyquinolin-2-one
SMILESO=c1c(Cc2ccccc2)c(O)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C23H19NO2/c25-22-19-13-7-8-14-21(19)24(16-18-11-5-2-6-12-18)23(26)20(22)15-17-9-3-1-4-10-17/h1-14,25H,15-16H2
InChIKeyZIWVYRMHGBBTTH-UHFFFAOYSA-N
XLogP4.35
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Roquinimex
CID 54676478
Paquinimod
CID 54684617
4-Hydroxy-N-methylcarbostyril
CID 54686436
Zanthobisquinolone
CID 54688597
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one
CID 54680431
2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide
CID 54688356
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638
Cay10583
CID 51529932
3-Phenyl-2,4-quinolinediol
CID 54677756

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-4-hydroxyquinolin-2-one?
The IUPAC name of 1,3-dibenzyl-4-hydroxyquinolin-2-one (CID 54687622) is 1,3-dibenzyl-4-hydroxyquinolin-2-one.
What is the SMILES notation for 1,3-dibenzyl-4-hydroxyquinolin-2-one?
The canonical SMILES for 1,3-dibenzyl-4-hydroxyquinolin-2-one is O=c1c(Cc2ccccc2)c(O)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-4-hydroxyquinolin-2-one?
The InChIKey is ZIWVYRMHGBBTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c25-22-19-13-7-8-14-21(19)24(16-18-11-5-2-6-12-18)23(26)20(22)15-17-9-3-1-4-10-17/h1-14,25H,15-16H2.
What are the key properties of 1,3-dibenzyl-4-hydroxyquinolin-2-one?
1,3-dibenzyl-4-hydroxyquinolin-2-one has a molecular weight of 341.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-4-hydroxyquinolin-2-one is sourced from PubChem (CID 54687622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).