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

C23H19N3O4 — CID 135636149

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESCOc1cccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1O
InChIInChI=1S/C23H19N3O4/c1-30-20-12-6-7-15(22(20)28)13-24-25-21(27)14-26-18-10-4-2-8-16(18)23(29)17-9-3-5-11-19(17)26/h2-13,28H,14H2,1H3,(H,25,27)/b24-13+
InChIKeyAFWVHTCTIWAVFA-ZMOGYAJESA-N
MW401.42 g/mol
LogP3.02
Rot. Bonds5

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

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 135636149) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID135636149
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESCOc1cccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1O
InChIInChI=1S/C23H19N3O4/c1-30-20-12-6-7-15(22(20)28)13-24-25-21(27)14-26-18-10-4-2-8-16(18)23(29)17-9-3-5-11-19(17)26/h2-13,28H,14H2,1H3,(H,25,27)/b24-13+
InChIKeyAFWVHTCTIWAVFA-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_A(479)', '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

N-[(E)-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 9640944
N'-{(1E)-[3-(3,4-dihydroquinolin-1(2H)-ylmethyl)-4-methoxyphenyl]methylene}-4-hydroxybenzohydrazide
CID 9653411
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
2-[(2-hydroxy-3-methoxybenzylidene)amino]-N-phenylbenzamide
CID 631417
1-ethyl-6-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 156010723
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-cyclopropyl-6-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 155537913
2-Fluoro-N-(3-{N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135841760
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]benzamide
CID 135958470
4-Fluoro-N-(4-{N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 136333839

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 135636149) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is COc1cccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is AFWVHTCTIWAVFA-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H19N3O4/c1-30-20-12-6-7-15(22(20)28)13-24-25-21(27)14-26-18-10-4-2-8-16(18)23(29)17-9-3-5-11-19(17)26/h2-13,28H,14H2,1H3,(H,25,27)/b24-13+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(E)-(2-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)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 135636149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).