N-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide

C21H16N2O3 — CID 90676803

IUPACN-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(O)cc1
InChIInChI=1S/C21H16N2O3/c24-15-11-9-14(10-12-15)22-20(25)13-23-18-7-3-1-5-16(18)21(26)17-6-2-4-8-19(17)23/h1-12,24H,13H2,(H,22,25)
InChIKeyZWLNCPVMCRMSBP-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.50
Rot. Bonds3

About N-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide

N-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 90676803) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
PubChem CID90676803
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC NameN-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(O)cc1
InChIInChI=1S/C21H16N2O3/c24-15-11-9-14(10-12-15)22-20(25)13-23-18-7-3-1-5-16(18)21(26)17-6-2-4-8-19(17)23/h1-12,24H,13H2,(H,22,25)
InChIKeyZWLNCPVMCRMSBP-UHFFFAOYSA-N
XLogP3.50
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide (CID 90676803) is N-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is ZWLNCPVMCRMSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-15-11-9-14(10-12-15)22-20(25)13-23-18-7-3-1-5-16(18)21(26)17-6-2-4-8-19(17)23/h1-12,24H,13H2,(H,22,25).
What are the key properties of N-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide?
N-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 90676803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).