N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide

C23H18N4O4 — CID 135725861

IUPACN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1
InChIInChI=1S/C23H18N4O4/c1-31-17-11-12-20(28)15(13-17)14-24-25-22(29)21-18-9-5-6-10-19(18)23(30)27(26-21)16-7-3-2-4-8-16/h2-14,28H,1H3,(H,25,29)/b24-14+
InChIKeyZGHCIVDIUIWOAV-ZVHZXABRSA-N
MW414.42 g/mol
LogP2.86
Rot. Bonds5

About N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide

N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 135725861) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID135725861
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC NameN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1
InChIInChI=1S/C23H18N4O4/c1-31-17-11-12-20(28)15(13-17)14-24-25-22(29)21-18-9-5-6-10-19(18)23(30)27(26-21)16-7-3-2-4-8-16/h2-14,28H,1H3,(H,25,29)/b24-14+
InChIKeyZGHCIVDIUIWOAV-ZVHZXABRSA-N
XLogP2.86
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135785100
N-[(4-methoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4848627
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 1246846
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 6218632
3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide
CID 3513203
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 135717252
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3603749
1-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135959919
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136863964
2-hydroxy-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 137084970
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 136663019

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 135725861) is N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide is COc1ccc(O)c(/C=N/NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is ZGHCIVDIUIWOAV-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H18N4O4/c1-31-17-11-12-20(28)15(13-17)14-24-25-22(29)21-18-9-5-6-10-19(18)23(30)27(26-21)16-7-3-2-4-8-16/h2-14,28H,1H3,(H,25,29)/b24-14+.
What are the key properties of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 414.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 135725861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).