2-aminoacridine-1-carboxylic acid

C14H10N2O2 — CID 122423819

IUPAC2-aminoacridine-1-carboxylic acid
SMILESNc1ccc2nc3ccccc3cc2c1C(=O)O
InChIInChI=1S/C14H10N2O2/c15-10-5-6-12-9(13(10)14(17)18)7-8-3-1-2-4-11(8)16-12/h1-7H,15H2,(H,17,18)
InChIKeyDNCJKNZPBOAZIP-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.67
Rot. Bonds1

About 2-aminoacridine-1-carboxylic acid

2-aminoacridine-1-carboxylic acid (PubChem CID 122423819) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-aminoacridine-1-carboxylic acid.

Molecular Properties

Compound Name2-aminoacridine-1-carboxylic acid
PubChem CID122423819
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-aminoacridine-1-carboxylic acid
SMILESNc1ccc2nc3ccccc3cc2c1C(=O)O
InChIInChI=1S/C14H10N2O2/c15-10-5-6-12-9(13(10)14(17)18)7-8-3-1-2-4-11(8)16-12/h1-7H,15H2,(H,17,18)
InChIKeyDNCJKNZPBOAZIP-UHFFFAOYSA-N
XLogP2.67
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 2-aminoacridine-1-carboxylic acid?
The IUPAC name of 2-aminoacridine-1-carboxylic acid (CID 122423819) is 2-aminoacridine-1-carboxylic acid.
What is the SMILES notation for 2-aminoacridine-1-carboxylic acid?
The canonical SMILES for 2-aminoacridine-1-carboxylic acid is Nc1ccc2nc3ccccc3cc2c1C(=O)O.
What is the InChIKey of 2-aminoacridine-1-carboxylic acid?
The InChIKey is DNCJKNZPBOAZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-10-5-6-12-9(13(10)14(17)18)7-8-3-1-2-4-11(8)16-12/h1-7H,15H2,(H,17,18).
What are the key properties of 2-aminoacridine-1-carboxylic acid?
2-aminoacridine-1-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacridine-1-carboxylic acid is sourced from PubChem (CID 122423819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).