9-oxo-10H-acridine-4-carboxylic acid

C14H9NO3 — CID 3560758

IUPAC9-oxo-10H-acridine-4-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C14H9NO3/c16-13-8-4-1-2-7-11(8)15-12-9(13)5-3-6-10(12)14(17)18/h1-7H,(H,15,16)(H,17,18)
InChIKeyBATAOFZEDHPRTM-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.38
Rot. Bonds1

About 9-oxo-10H-acridine-4-carboxylic acid

9-oxo-10H-acridine-4-carboxylic acid (PubChem CID 3560758) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 9-oxo-10H-acridine-4-carboxylic acid.

Molecular Properties

Compound Name9-oxo-10H-acridine-4-carboxylic acid
PubChem CID3560758
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name9-oxo-10H-acridine-4-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C14H9NO3/c16-13-8-4-1-2-7-11(8)15-12-9(13)5-3-6-10(12)14(17)18/h1-7H,(H,15,16)(H,17,18)
InChIKeyBATAOFZEDHPRTM-UHFFFAOYSA-N
XLogP2.38
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-10H-acridine-4-carboxylic acid?
The IUPAC name of 9-oxo-10H-acridine-4-carboxylic acid (CID 3560758) is 9-oxo-10H-acridine-4-carboxylic acid.
What is the SMILES notation for 9-oxo-10H-acridine-4-carboxylic acid?
The canonical SMILES for 9-oxo-10H-acridine-4-carboxylic acid is O=C(O)c1cccc2c(=O)c3ccccc3[nH]c12.
What is the InChIKey of 9-oxo-10H-acridine-4-carboxylic acid?
The InChIKey is BATAOFZEDHPRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-13-8-4-1-2-7-11(8)15-12-9(13)5-3-6-10(12)14(17)18/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 9-oxo-10H-acridine-4-carboxylic acid?
9-oxo-10H-acridine-4-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-10H-acridine-4-carboxylic acid is sourced from PubChem (CID 3560758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).