N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C23H19N3O4 — CID 135900956

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1O
InChIInChI=1S/C23H19N3O4/c1-30-21-12-15(10-11-20(21)27)13-24-25-22(28)14-26-18-8-4-2-6-16(18)23(29)17-7-3-5-9-19(17)26/h2-13,27H,14H2,1H3,(H,25,28)/b24-13+
InChIKeyDDEZLMDPHHQINA-ZMOGYAJESA-N
MW401.42 g/mol
LogP3.02
Rot. Bonds5

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 135900956) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID135900956
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1O
InChIInChI=1S/C23H19N3O4/c1-30-21-12-15(10-11-20(21)27)13-24-25-22(28)14-26-18-8-4-2-6-16(18)23(29)17-7-3-5-9-19(17)26/h2-13,27H,14H2,1H3,(H,25,28)/b24-13+
InChIKeyDDEZLMDPHHQINA-ZMOGYAJESA-N
XLogP3.02
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)-3-{[(1E)-1-(4-methoxyphenyl)ethylidene]amino}-2,3-dihydroquinazolin-4(1H)-one
CID 9651049
N-[(E)-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 9640944
N-(2-{[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]carbonyl}phenyl)-4-methoxybenzamide
CID 135510994
N'-(4-hydroxy-3-methoxybenzylidene)-2-(4-oxo-3(4H)-quinazolinyl)acetohydrazide
CID 135541141
N-(3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135693604
N-(4-{[2-(3-hydroxy-4-methoxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875720
N-(4-{[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 135418716
N-(3-{[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]carbonyl}phenyl)-2-methylbenzamide
CID 135688448
1-ethyl-6-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 156010723
1-cyclopropyl-6-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide
CID 156010964
1-Piperazineacetic acid, 4-phenyl-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588025
1-Piperazineacetic acid, 4-(2-methylphenyl)-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588031

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 135900956) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is DDEZLMDPHHQINA-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H19N3O4/c1-30-21-12-15(10-11-20(21)27)13-24-25-22(28)14-26-18-8-4-2-6-16(18)23(29)17-7-3-5-9-19(17)26/h2-13,27H,14H2,1H3,(H,25,28)/b24-13+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 401.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 135900956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).