1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid

C20H11N3O4 — CID 162625229

IUPAC1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid
SMILESO=C(O)C1=C(/N=N/c2ccccc2)C(=O)C(=O)c2cc3ccccc3nc21
InChIInChI=1S/C20H11N3O4/c24-18-13-10-11-6-4-5-9-14(11)21-16(13)15(20(26)27)17(19(18)25)23-22-12-7-2-1-3-8-12/h1-10H,(H,26,27)/b23-22+
InChIKeyANNYGBGNVSMMEY-GHVJWSGMSA-N
MW357.33 g/mol
LogP3.58
Rot. Bonds3

About 1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid

1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid (PubChem CID 162625229) has the molecular formula C20H11N3O4 and a molecular weight of 357.33 g/mol. Its IUPAC name is 1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid.

Molecular Properties

Compound Name1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid
PubChem CID162625229
Molecular FormulaC20H11N3O4
Molecular Weight357.33 g/mol
Exact Mass357.07
IUPAC Name1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid
SMILESO=C(O)C1=C(/N=N/c2ccccc2)C(=O)C(=O)c2cc3ccccc3nc21
InChIInChI=1S/C20H11N3O4/c24-18-13-10-11-6-4-5-9-14(11)21-16(13)15(20(26)27)17(19(18)25)23-22-12-7-2-1-3-8-12/h1-10H,(H,26,27)/b23-22+
InChIKeyANNYGBGNVSMMEY-GHVJWSGMSA-N
XLogP3.58
TPSA109.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid?
The IUPAC name of 1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid (CID 162625229) is 1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid.
What is the SMILES notation for 1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid?
The canonical SMILES for 1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid is O=C(O)C1=C(/N=N/c2ccccc2)C(=O)C(=O)c2cc3ccccc3nc21.
What is the InChIKey of 1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid?
The InChIKey is ANNYGBGNVSMMEY-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H11N3O4/c24-18-13-10-11-6-4-5-9-14(11)21-16(13)15(20(26)27)17(19(18)25)23-22-12-7-2-1-3-8-12/h1-10H,(H,26,27)/b23-22+.
What are the key properties of 1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid?
1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid has a molecular weight of 357.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioxo-3-phenyldiazenylacridine-4-carboxylic acid is sourced from PubChem (CID 162625229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).