9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide

C16H18N4O2 — CID 21142837

IUPAC9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide
SMILESNCCCNc1c2ccccc2nc2cccc([NH+]([O-])O)c12
InChIInChI=1S/C16H18N4O2/c17-9-4-10-18-16-11-5-1-2-6-12(11)19-13-7-3-8-14(15(13)16)20(21)22/h1-3,5-8,20-21H,4,9-10,17H2,(H,18,19)
InChIKeyOQEWMEZLGWVZFS-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.55
Rot. Bonds5

About 9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide

9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide (PubChem CID 21142837) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide.

Molecular Properties

Compound Name9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide
PubChem CID21142837
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide
SMILESNCCCNc1c2ccccc2nc2cccc([NH+]([O-])O)c12
InChIInChI=1S/C16H18N4O2/c17-9-4-10-18-16-11-5-1-2-6-12(11)19-13-7-3-8-14(15(13)16)20(21)22/h1-3,5-8,20-21H,4,9-10,17H2,(H,18,19)
InChIKeyOQEWMEZLGWVZFS-UHFFFAOYSA-N
XLogP1.55
TPSA98.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

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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-hydroxy-9-(3-morpholin-4-ylpropylamino)acridin-1-amine oxide;methanesulfonic acid
CID 21143004
9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide
CID 21142831
9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride
CID 21122674
N-acridin-9-yl-N'-[4-[4-(acridin-9-ylamino)butyl-(3-aminopropyl)amino]butyl]-N'-(3-aminopropyl)butane-1,4-diamine;dihydrochloride
CID 45261740
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
4-[(1-nitroacridin-9-yl)amino]butanoic acid
CID 14580025
3-[4-(3-aminopropylamino)butylamino]propyl 5-(acridin-9-ylamino)pentanoate
CID 10345062
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
N'-(2,1-benzothiazol-3-yl)propane-1,3-diamine
CID 66356346
N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine;hydrochloride
CID 54607240
N,N'-bis(2-methylacridin-9-yl)hexane-1,6-diamine
CID 162643745

Frequently Asked Questions

What is the IUPAC name of 9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide?
The IUPAC name of 9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide (CID 21142837) is 9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide.
What is the SMILES notation for 9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide?
The canonical SMILES for 9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide is NCCCNc1c2ccccc2nc2cccc([NH+]([O-])O)c12.
What is the InChIKey of 9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide?
The InChIKey is OQEWMEZLGWVZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-9-4-10-18-16-11-5-1-2-6-12(11)19-13-7-3-8-14(15(13)16)20(21)22/h1-3,5-8,20-21H,4,9-10,17H2,(H,18,19).
What are the key properties of 9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide?
9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide has a molecular weight of 298.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide is sourced from PubChem (CID 21142837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).