N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid

C21H28N4O6S — CID 21143004

IUPACN-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid
SMILESCS(=O)(=O)O.[O-][NH+](O)c1cccc2nc3ccccc3c(NCCCN3CCOCC3)c12
InChIInChI=1S/C20H24N4O3.CH4O3S/c25-24(26)18-8-3-7-17-19(18)20(15-5-1-2-6-16(15)22-17)21-9-4-10-23-11-13-27-14-12-23;1-5(2,3)4/h1-3,5-8,24-25H,4,9-14H2,(H,21,22);1H3,(H,2,3,4)
InChIKeyZMXSIVUFJHSLKD-UHFFFAOYSA-N
MW464.54 g/mol
LogP1.43
Rot. Bonds6

About N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid

N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid (PubChem CID 21143004) has the molecular formula C21H28N4O6S and a molecular weight of 464.54 g/mol. Its IUPAC name is N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid.

Molecular Properties

Compound NameN-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid
PubChem CID21143004
Molecular FormulaC21H28N4O6S
Molecular Weight464.54 g/mol
Exact Mass464.17
IUPAC NameN-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid
SMILESCS(=O)(=O)O.[O-][NH+](O)c1cccc2nc3ccccc3c(NCCCN3CCOCC3)c12
InChIInChI=1S/C20H24N4O3.CH4O3S/c25-24(26)18-8-3-7-17-19(18)20(15-5-1-2-6-16(15)22-17)21-9-4-10-23-11-13-27-14-12-23;1-5(2,3)4/h1-3,5-8,24-25H,4,9-14H2,(H,21,22);1H3,(H,2,3,4)
InChIKeyZMXSIVUFJHSLKD-UHFFFAOYSA-N
XLogP1.43
TPSA139.49 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide
CID 21143774
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 54768920
N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine
CID 44531415
N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride
CID 44531426
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559
N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine
CID 44531380
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine
CID 71653557
N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine
CID 44531421
2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 69241562
N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride
CID 44531630

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid?
The IUPAC name of N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid (CID 21143004) is N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid.
What is the SMILES notation for N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid?
The canonical SMILES for N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid is CS(=O)(=O)O.[O-][NH+](O)c1cccc2nc3ccccc3c(NCCCN3CCOCC3)c12.
What is the InChIKey of N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid?
The InChIKey is ZMXSIVUFJHSLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3.CH4O3S/c25-24(26)18-8-3-7-17-19(18)20(15-5-1-2-6-16(15)22-17)21-9-4-10-23-11-13-27-14-12-23;1-5(2,3)4/h1-3,5-8,24-25H,4,9-14H2,(H,21,22);1H3,(H,2,3,4).
What are the key properties of N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid?
N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid has a molecular weight of 464.54 g/mol, XLogP of 1.43, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid is sourced from PubChem (CID 21143004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).