N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C22H15BrN4O5 — CID 135905091

IUPACN-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O
InChIInChI=1S/C22H15BrN4O5/c23-17-10-14(27(31)32)9-13(21(17)29)11-24-25-20(28)12-26-18-7-3-1-5-15(18)22(30)16-6-2-4-8-19(16)26/h1-11,29H,12H2,(H,25,28)/b24-11-
InChIKeyRELSPIMTVPSRHT-MYKKPKGFSA-N
MW495.29 g/mol
LogP3.68
Rot. Bonds5

About N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 135905091) has the molecular formula C22H15BrN4O5 and a molecular weight of 495.29 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID135905091
Molecular FormulaC22H15BrN4O5
Molecular Weight495.29 g/mol
Exact Mass494.02
IUPAC NameN-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O
InChIInChI=1S/C22H15BrN4O5/c23-17-10-14(27(31)32)9-13(21(17)29)11-24-25-20(28)12-26-18-7-3-1-5-15(18)22(30)16-6-2-4-8-19(16)26/h1-11,29H,12H2,(H,25,28)/b24-11-
InChIKeyRELSPIMTVPSRHT-MYKKPKGFSA-N
XLogP3.68
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.29
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 137171999
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135457607
N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 136829057
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064436
N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033660
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
2-(4-bromoanilino)-N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137149865
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 75123865
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005160
[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]urea
CID 135504406

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 135905091) is N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O.
What is the InChIKey of N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is RELSPIMTVPSRHT-MYKKPKGFSA-N. The full InChI is InChI=1S/C22H15BrN4O5/c23-17-10-14(27(31)32)9-13(21(17)29)11-24-25-20(28)12-26-18-7-3-1-5-15(18)22(30)16-6-2-4-8-19(16)26/h1-11,29H,12H2,(H,25,28)/b24-11-.
What are the key properties of N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 495.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 135905091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).