N-(2-hydroxyethyl)-9-[4-[(5-methylisoxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide

HCID 384530

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Basic information

Standard SMILES: Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCO)cccc34)cc2)no1
InChIKey: WPXNGDFALRIPKY-UHFFFAOYSA-N
Molecular formula: C26H23N5O5S
Average molar mass: 517.6 g/mol
Monoisotopic mass: 517.14199002

Names & identifiers

Preferred name: N-(2-hydroxyethyl)-9-[4-[(5-methylisoxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide
IUPAC: N-(2-hydroxyethyl)-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide

Names & synonyms

NSC674501CHEMBL1970582NSC-674501NCI60_026388N-(2-hydroxyethyl)-9-[4-[(5-methylisoxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamideN-(2-Hydroxyethyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-4-acridinecarboxamide

Database identifiers

PubChem CID: 384530
ChEMBL: CHEMBL1970582

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 155 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 37
Formal charge: 0
Complexity: 877

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