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

C22H17IN4O4 — CID 143035081

IUPACN-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(I)c(O)c(NO)c1
InChIInChI=1S/C22H17IN4O4/c23-16-9-13(10-17(26-31)22(16)30)11-24-25-20(28)12-27-18-7-3-1-5-14(18)21(29)15-6-2-4-8-19(15)27/h1-11,26,30-31H,12H2,(H,25,28)/b24-11+
InChIKeyWMYYDAOGSXTCHZ-BHGWPJFGSA-N
MW528.31 g/mol
LogP3.42
Rot. Bonds5

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

N-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 143035081) has the molecular formula C22H17IN4O4 and a molecular weight of 528.31 g/mol. Its IUPAC name is N-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID143035081
Molecular FormulaC22H17IN4O4
Molecular Weight528.31 g/mol
Exact Mass528.03
IUPAC NameN-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(I)c(O)c(NO)c1
InChIInChI=1S/C22H17IN4O4/c23-16-9-13(10-17(26-31)22(16)30)11-24-25-20(28)12-27-18-7-3-1-5-14(18)21(29)15-6-2-4-8-19(15)27/h1-11,26,30-31H,12H2,(H,25,28)/b24-11+
InChIKeyWMYYDAOGSXTCHZ-BHGWPJFGSA-N
XLogP3.42
TPSA115.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.31
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Centmitor-1
CID 135489933
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-[hydroxy(iodosylmethyl)amino]-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 143034978
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 2859966
N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 2860981
N'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 3571505

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 143035081) is N-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(I)c(O)c(NO)c1.
What is the InChIKey of N-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is WMYYDAOGSXTCHZ-BHGWPJFGSA-N. The full InChI is InChI=1S/C22H17IN4O4/c23-16-9-13(10-17(26-31)22(16)30)11-24-25-20(28)12-27-18-7-3-1-5-14(18)21(29)15-6-2-4-8-19(15)27/h1-11,26,30-31H,12H2,(H,25,28)/b24-11+.
What are the key properties of N-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 528.31 g/mol, XLogP of 3.42, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-hydroxy-3-(hydroxyamino)-5-iodophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 143035081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).