N'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide

C21H15Br2N3O3 — CID 147757816

IUPACN'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NNc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C21H15Br2N3O3/c22-15-9-12(10-16(23)21(15)29)24-25-19(27)11-26-17-7-3-1-5-13(17)20(28)14-6-2-4-8-18(14)26/h1-10,24,29H,11H2,(H,25,27)
InChIKeyHDLUVMUHBMTMQL-UHFFFAOYSA-N
MW517.18 g/mol
LogP4.53
Rot. Bonds4

About N'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide

N'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide (PubChem CID 147757816) has the molecular formula C21H15Br2N3O3 and a molecular weight of 517.18 g/mol. Its IUPAC name is N'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide
PubChem CID147757816
Molecular FormulaC21H15Br2N3O3
Molecular Weight517.18 g/mol
Exact Mass514.95
IUPAC NameN'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NNc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C21H15Br2N3O3/c22-15-9-12(10-16(23)21(15)29)24-25-19(27)11-26-17-7-3-1-5-13(17)20(28)14-6-2-4-8-18(14)26/h1-10,24,29H,11H2,(H,25,27)
InChIKeyHDLUVMUHBMTMQL-UHFFFAOYSA-N
XLogP4.53
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.18
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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

Centmitor-1
CID 135489933
N'-[(3,5-Dibromo-4-hydroxyphenyl)methylidene]-2-(9-oxo-9,10-dihydroacridin-10-YL)acetohydrazide
CID 135900957
N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 2860981
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-(9-oxoacridin-10(9H)-yl)acetohydrazide
CID 135627787
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135781794
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135810362
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 136233761
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 136829056
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 136829058

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide?
The IUPAC name of N'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide (CID 147757816) is N'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide.
What is the SMILES notation for N'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide?
The canonical SMILES for N'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NNc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of N'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide?
The InChIKey is HDLUVMUHBMTMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Br2N3O3/c22-15-9-12(10-16(23)21(15)29)24-25-19(27)11-26-17-7-3-1-5-13(17)20(28)14-6-2-4-8-18(14)26/h1-10,24,29H,11H2,(H,25,27).
What are the key properties of N'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide?
N'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide has a molecular weight of 517.18 g/mol, XLogP of 4.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dibromo-4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetohydrazide is sourced from PubChem (CID 147757816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).