N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C22H16BrN3O3 — CID 2860981

IUPACN-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(O)c(Br)c1
InChIInChI=1S/C22H16BrN3O3/c23-17-11-14(9-10-20(17)27)12-24-25-21(28)13-26-18-7-3-1-5-15(18)22(29)16-6-2-4-8-19(16)26/h1-12,27H,13H2,(H,25,28)
InChIKeyJOGAHIHJROVAFZ-UHFFFAOYSA-N
MW450.29 g/mol
LogP3.77
Rot. Bonds4

About N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 2860981) has the molecular formula C22H16BrN3O3 and a molecular weight of 450.29 g/mol. Its IUPAC name is N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID2860981
Molecular FormulaC22H16BrN3O3
Molecular Weight450.29 g/mol
Exact Mass449.04
IUPAC NameN-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(O)c(Br)c1
InChIInChI=1S/C22H16BrN3O3/c23-17-11-14(9-10-20(17)27)12-24-25-21(28)13-26-18-7-3-1-5-15(18)22(29)16-6-2-4-8-19(16)26/h1-12,27H,13H2,(H,25,28)
InChIKeyJOGAHIHJROVAFZ-UHFFFAOYSA-N
XLogP3.77
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.29
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 2860981) is N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(O)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is JOGAHIHJROVAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O3/c23-17-11-14(9-10-20(17)27)12-24-25-21(28)13-26-18-7-3-1-5-15(18)22(29)16-6-2-4-8-19(16)26/h1-12,27H,13H2,(H,25,28).
What are the key properties of N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 450.29 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 2860981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).