N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C22H16BrN3O4 — CID 137171999

IUPACN-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(Br)c(O)cc1O
InChIInChI=1S/C22H16BrN3O4/c23-16-9-13(19(27)10-20(16)28)11-24-25-21(29)12-26-17-7-3-1-5-14(17)22(30)15-6-2-4-8-18(15)26/h1-11,27-28H,12H2,(H,25,29)/b24-11-
InChIKeyGOJZZDLAGVRMLP-MYKKPKGFSA-N
MW466.29 g/mol
LogP3.48
Rot. Bonds4

About N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 137171999) has the molecular formula C22H16BrN3O4 and a molecular weight of 466.29 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID137171999
Molecular FormulaC22H16BrN3O4
Molecular Weight466.29 g/mol
Exact Mass465.03
IUPAC NameN-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(Br)c(O)cc1O
InChIInChI=1S/C22H16BrN3O4/c23-16-9-13(19(27)10-20(16)28)11-24-25-21(29)12-26-17-7-3-1-5-14(17)22(30)15-6-2-4-8-18(15)26/h1-11,27-28H,12H2,(H,25,29)/b24-11-
InChIKeyGOJZZDLAGVRMLP-MYKKPKGFSA-N
XLogP3.48
TPSA103.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.29
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135900957
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135905091
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005141
N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98076624
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135457607
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005160
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 75123865
N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 5341858
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 6381487
N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 92847108
N-[(E)-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 21212478
N-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 126341317

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 137171999) is N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(Br)c(O)cc1O.
What is the InChIKey of N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is GOJZZDLAGVRMLP-MYKKPKGFSA-N. The full InChI is InChI=1S/C22H16BrN3O4/c23-16-9-13(19(27)10-20(16)28)11-24-25-21(29)12-26-17-7-3-1-5-14(17)22(30)15-6-2-4-8-18(15)26/h1-11,27-28H,12H2,(H,25,29)/b24-11-.
What are the key properties of N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 466.29 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 137171999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).