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

C24H21N3O4 — CID 135508950

IUPACN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1O
InChIInChI=1S/C24H21N3O4/c1-2-31-22-13-16(11-12-21(22)28)14-25-26-23(29)15-27-19-9-5-3-7-17(19)24(30)18-8-4-6-10-20(18)27/h3-14,28H,2,15H2,1H3,(H,26,29)/b25-14+
InChIKeyIKQLYMPCVXYHMQ-AFUMVMLFSA-N
MW415.45 g/mol
LogP3.41
Rot. Bonds6

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

N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 135508950) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID135508950
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1O
InChIInChI=1S/C24H21N3O4/c1-2-31-22-13-16(11-12-21(22)28)14-25-26-23(29)15-27-19-9-5-3-7-17(19)24(30)18-8-4-6-10-20(18)27/h3-14,28H,2,15H2,1H3,(H,26,29)/b25-14+
InChIKeyIKQLYMPCVXYHMQ-AFUMVMLFSA-N
XLogP3.41
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.41
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

(E)-N'-(3-ethoxy-4-hydroxybenzylidene)-2-phenylquinoline-4-carbohydrazide
CID 135519152
N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
CID 6884659
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
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
ethyl 4-{5-[(E)-{2-[(9-oxoacridin-10(9H)-yl)acetyl]hydrazinylidene}methyl]furan-2-yl}benzoate
CID 9646710
2-(9-oxoacridin-10(9H)-yl)-N'-[(E)-(5-phenylfuran-2-yl)methylidene]acetohydrazide
CID 9668726
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide
CID 136961623
1'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2'-oxospiro[10H-acridine-9,5'-pyrrole]-3'-carbonitrile
CID 145979431
1-cyclopropyl-6-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide
CID 155532165

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 135508950) is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1O.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is IKQLYMPCVXYHMQ-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-2-31-22-13-16(11-12-21(22)28)14-25-26-23(29)15-27-19-9-5-3-7-17(19)24(30)18-8-4-6-10-20(18)27/h3-14,28H,2,15H2,1H3,(H,26,29)/b25-14+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 415.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 135508950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).