4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one

C22H17N3O2 — CID 135980152

IUPAC4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one
SMILESO=c1c(/C=N/Cc2ccccn2)c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H17N3O2/c26-21-18-11-4-5-12-20(18)25(17-9-2-1-3-10-17)22(27)19(21)15-23-14-16-8-6-7-13-24-16/h1-13,15,26H,14H2/b23-15+
InChIKeyVUAGMMUTIKNYNB-HZHRSRAPSA-N
MW355.40 g/mol
LogP3.71
Rot. Bonds4

About 4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one

4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one (PubChem CID 135980152) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one
PubChem CID135980152
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one
SMILESO=c1c(/C=N/Cc2ccccn2)c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H17N3O2/c26-21-18-11-4-5-12-20(18)25(17-9-2-1-3-10-17)22(27)19(21)15-23-14-16-8-6-7-13-24-16/h1-13,15,26H,14H2/b23-15+
InChIKeyVUAGMMUTIKNYNB-HZHRSRAPSA-N
XLogP3.71
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135449771
2-(3,4-dimethoxyphenyl)-3-hydroxy-4-(pyridin-2-ylmethyliminomethyl)isoquinolin-1-one
CID 135758799
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one
CID 110273136
5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol
CID 135828521
2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol
CID 136832873
4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one
CID 102581403
benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol
CID 171438202
4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one
CID 54685600
4-(pyridin-2-ylmethyliminomethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 4601521
3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one
CID 54705173
1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one
CID 135967926

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one?
The IUPAC name of 4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one (CID 135980152) is 4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one?
The canonical SMILES for 4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one is O=c1c(/C=N/Cc2ccccn2)c(O)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one?
The InChIKey is VUAGMMUTIKNYNB-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-21-18-11-4-5-12-20(18)25(17-9-2-1-3-10-17)22(27)19(21)15-23-14-16-8-6-7-13-24-16/h1-13,15,26H,14H2/b23-15+.
What are the key properties of 4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one?
4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one has a molecular weight of 355.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one is sourced from PubChem (CID 135980152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).