3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one

C26H20N4O3 — CID 2533545

IUPAC3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one
SMILESCc1ccc(-n2c(O)c(C=NN=C3C(=O)N(C)c4ccccc43)c3ccccc3c2=O)cc1
InChIInChI=1S/C26H20N4O3/c1-16-11-13-17(14-12-16)30-24(31)19-8-4-3-7-18(19)21(25(30)32)15-27-28-23-20-9-5-6-10-22(20)29(2)26(23)33/h3-15,32H,1-2H3
InChIKeyGZFKYNILBDFILS-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.80
Rot. Bonds3

About 3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one

3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one (PubChem CID 2533545) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one.

Molecular Properties

Compound Name3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one
PubChem CID2533545
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one
SMILESCc1ccc(-n2c(O)c(C=NN=C3C(=O)N(C)c4ccccc43)c3ccccc3c2=O)cc1
InChIInChI=1S/C26H20N4O3/c1-16-11-13-17(14-12-16)30-24(31)19-8-4-3-7-18(19)21(25(30)32)15-27-28-23-20-9-5-6-10-22(20)29(2)26(23)33/h3-15,32H,1-2H3
InChIKeyGZFKYNILBDFILS-UHFFFAOYSA-N
XLogP3.80
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one with MolForge

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Related Compounds

(3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one
CID 9214035
3-hydroxy-4-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one
CID 3561966
3-hydroxy-4-(methyliminomethyl)-2-phenylisoquinolin-1-one
CID 4897006
N,N'-bis[(E)-[3-hydroxy-2-(4-methylphenyl)-1-oxoisoquinolin-4-yl]methylideneamino]hexanediamide
CID 135555649
2-[(E)-[2-(3,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]isoindole-1,3-dione
CID 135676051
3-hydroxy-4-[(3-methylimidazol-4-yl)methyliminomethyl]-2-(4-methylphenyl)isoquinolin-1-one
CID 166213815
4-[(4-ethoxyphenyl)iminomethyl]-3-hydroxy-2-(4-methylphenyl)isoquinolin-1-one
CID 3257363
(3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 135577138
(3Z)-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214073
2-(3,5-dimethylphenoxy)-N-[(Z)-[3-hydroxy-2-(4-methylphenyl)-1-oxoisoquinolin-4-yl]methylideneamino]acetamide
CID 137269223
(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214007
N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-hydroxy-2-(4-methylphenyl)-1-oxoisoquinolin-4-yl]methylideneamino]benzamide
CID 2489308

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one?
The IUPAC name of 3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one (CID 2533545) is 3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one.
What is the SMILES notation for 3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one?
The canonical SMILES for 3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one is Cc1ccc(-n2c(O)c(C=NN=C3C(=O)N(C)c4ccccc43)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one?
The InChIKey is GZFKYNILBDFILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c1-16-11-13-17(14-12-16)30-24(31)19-8-4-3-7-18(19)21(25(30)32)15-27-28-23-20-9-5-6-10-22(20)29(2)26(23)33/h3-15,32H,1-2H3.
What are the key properties of 3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one?
3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one has a molecular weight of 436.47 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one is sourced from PubChem (CID 2533545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).