N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide

C24H20N6O5S — CID 21143751

IUPACN-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide
SMILESCOc1ccc2nc3cc([NH+]([O-])O)ccc3c(Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2c1
InChIInChI=1S/C24H20N6O5S/c1-35-17-6-10-21-20(14-17)23(19-9-5-16(30(31)32)13-22(19)28-21)27-15-3-7-18(8-4-15)36(33,34)29-24-25-11-2-12-26-24/h2-14,30-31H,1H3,(H,27,28)(H,25,26,29)
InChIKeyCUXQSCSSEPMRAK-UHFFFAOYSA-N
MW504.53 g/mol
LogP3.13
Rot. Bonds7

About N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide

N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide (PubChem CID 21143751) has the molecular formula C24H20N6O5S and a molecular weight of 504.53 g/mol. Its IUPAC name is N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide.

Molecular Properties

Compound NameN-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide
PubChem CID21143751
Molecular FormulaC24H20N6O5S
Molecular Weight504.53 g/mol
Exact Mass504.12
IUPAC NameN-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide
SMILESCOc1ccc2nc3cc([NH+]([O-])O)ccc3c(Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2c1
InChIInChI=1S/C24H20N6O5S/c1-35-17-6-10-21-20(14-17)23(19-9-5-16(30(31)32)13-22(19)28-21)27-15-3-7-18(8-4-15)36(33,34)29-24-25-11-2-12-26-24/h2-14,30-31H,1H3,(H,27,28)(H,25,26,29)
InChIKeyCUXQSCSSEPMRAK-UHFFFAOYSA-N
XLogP3.13
TPSA153.83 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.53
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[(6-chloro-2-methoxyacridin-9-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 5270854
9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide
CID 21143747
2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2597985
1-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-3-phenylurea
CID 127037354
9-[4-[3-(diaminomethylideneamino)propylsulfonylamino]anilino]-N-hydroxyacridin-3-amine oxide
CID 21157256
4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide
CID 21144020
4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 164625490
6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 146080934
4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide
CID 127036796
4-N-(6-chloro-2-methoxyacridin-9-yl)benzene-1,4-diamine
CID 56666124
2-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 46186895
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol
CID 155402944

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide?
The IUPAC name of N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide (CID 21143751) is N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide.
What is the SMILES notation for N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide?
The canonical SMILES for N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide is COc1ccc2nc3cc([NH+]([O-])O)ccc3c(Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2c1.
What is the InChIKey of N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide?
The InChIKey is CUXQSCSSEPMRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O5S/c1-35-17-6-10-21-20(14-17)23(19-9-5-16(30(31)32)13-22(19)28-21)27-15-3-7-18(8-4-15)36(33,34)29-24-25-11-2-12-26-24/h2-14,30-31H,1H3,(H,27,28)(H,25,26,29).
What are the key properties of N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide?
N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide has a molecular weight of 504.53 g/mol, XLogP of 3.13, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide is sourced from PubChem (CID 21143751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).