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

C22H17N3O4 — CID 135593786

IUPACN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C22H17N3O4/c26-19-10-9-14(11-20(19)27)12-23-24-21(28)13-25-17-7-3-1-5-15(17)22(29)16-6-2-4-8-18(16)25/h1-12,26-27H,13H2,(H,24,28)/b23-12+
InChIKeyMBRARPOZIJINGL-FSJBWODESA-N
MW387.40 g/mol
LogP2.72
Rot. Bonds4

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

N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 135593786) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID135593786
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C22H17N3O4/c26-19-10-9-14(11-20(19)27)12-23-24-21(28)13-25-17-7-3-1-5-15(17)22(29)16-6-2-4-8-18(16)25/h1-12,26-27H,13H2,(H,24,28)/b23-12+
InChIKeyMBRARPOZIJINGL-FSJBWODESA-N
XLogP2.72
TPSA103.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-{(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene}-2-(9-oxoacridin-10(9H)-yl)acetohydrazide
CID 135489942
Centmitor-1
CID 135489933
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 137225050
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide
CID 136961622
N'-(3-ethoxy-4-hydroxybenzylidene)-2-(9-oxo-10(9H)-acridinyl)acetohydrazide
CID 135508950
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-(9-oxoacridin-10(9H)-yl)acetohydrazide
CID 135636149
N'-[(E)-(2-Hydroxyphenyl)methylidene]-2-(9-oxo-9,10-dihydroacridin-10-YL)acetohydrazide
CID 135683432
N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]-2-(9-oxo-9,10-dihydroacridin-10-YL)acetohydrazide
CID 135900956
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 4589448
N'-[(E)-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}methylidene]-2-(9-oxoacridin-10(9H)-yl)acetohydrazide
CID 75123808
N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 91970085
N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005145

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 135593786) is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(O)c(O)c1.
What is the InChIKey of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is MBRARPOZIJINGL-FSJBWODESA-N. The full InChI is InChI=1S/C22H17N3O4/c26-19-10-9-14(11-20(19)27)12-23-24-21(28)13-25-17-7-3-1-5-15(17)22(29)16-6-2-4-8-18(16)25/h1-12,26-27H,13H2,(H,24,28)/b23-12+.
What are the key properties of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 387.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 135593786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).