N-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C23H18I2N4O5 — CID 143034978

IUPACN-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=ICN(O)c1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1O
InChIInChI=1S/C23H18I2N4O5/c24-17-9-14(10-20(23(17)32)29(34)13-25-33)11-26-27-21(30)12-28-18-7-3-1-5-15(18)22(31)16-6-2-4-8-19(16)28/h1-11,32,34H,12-13H2,(H,27,30)/b26-11+
InChIKeyPSXVQLDSNAXWDQ-KBKYJPHKSA-N
MW684.23 g/mol
LogP4.08
Rot. Bonds7

About N-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 143034978) has the molecular formula C23H18I2N4O5 and a molecular weight of 684.23 g/mol. Its IUPAC name is N-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID143034978
Molecular FormulaC23H18I2N4O5
Molecular Weight684.23 g/mol
Exact Mass683.94
IUPAC NameN-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=ICN(O)c1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1O
InChIInChI=1S/C23H18I2N4O5/c24-17-9-14(10-20(23(17)32)29(34)13-25-33)11-26-27-21(30)12-28-18-7-3-1-5-15(18)22(31)16-6-2-4-8-19(16)28/h1-11,32,34H,12-13H2,(H,27,30)/b26-11+
InChIKeyPSXVQLDSNAXWDQ-KBKYJPHKSA-N
XLogP4.08
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500684.23
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(2-Hydroxyphenyl)methylidene]-2-(9-oxo-9,10-dihydroacridin-10-YL)acetohydrazide
CID 135683432
N'-(3,4-dihydroxybenzylidene)-2-(9-oxo-10(9H)-acridinyl)acetohydrazide
CID 135593786
N'-[(E)-(4-hydroxy-3-iodo-5-nitrophenyl)methylidene]-2-(9-oxoacridin-10(9H)-yl)acetohydrazide
CID 135627786
N-[(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 136250167
N-[(Z)-1-[4-(diethylamino)phenyl]-3-[(2E)-2-[[3-(dihydroxyamino)-4-hydroxyphenyl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 136447670
[2-hydroxy-3-iodo-5-[(E)-[[2-(9-oxoacridin-10-yl)acetyl]hydrazinylidene]methyl]phenyl]-methoxy-oxoazanium
CID 136465132
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 136500316
N-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 143035081
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 2859966
N-[(2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 4207533
N'-[(E)-(3-hydroxyphenyl)methylidene]-2-(9-oxoacridin-10(9H)-yl)acetohydrazide
CID 75123865
N-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 91970149

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 143034978) is N-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=ICN(O)c1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1O.
What is the InChIKey of N-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is PSXVQLDSNAXWDQ-KBKYJPHKSA-N. The full InChI is InChI=1S/C23H18I2N4O5/c24-17-9-14(10-20(23(17)32)29(34)13-25-33)11-26-27-21(30)12-28-18-7-3-1-5-15(18)22(31)16-6-2-4-8-19(16)28/h1-11,32,34H,12-13H2,(H,27,30)/b26-11+.
What are the key properties of N-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 684.23 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-hydroxy-3-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 143034978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).