9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride

C19H25ClN4O2 — CID 21122674

IUPAC9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride
SMILESCc1ccc([NH+]([O-])O)c2c(NCCCN(C)C)c3ccccc3nc12.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-13-9-10-16(23(24)25)17-18(13)21-15-8-5-4-7-14(15)19(17)20-11-6-12-22(2)3;/h4-5,7-10,23-24H,6,11-12H2,1-3H3,(H,20,21);1H
InChIKeyRSEIMFGLCRQMNF-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.89
Rot. Bonds6

About 9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride

9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride (PubChem CID 21122674) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride.

Molecular Properties

Compound Name9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride
PubChem CID21122674
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride
SMILESCc1ccc([NH+]([O-])O)c2c(NCCCN(C)C)c3ccccc3nc12.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-13-9-10-16(23(24)25)17-18(13)21-15-8-5-4-7-14(15)19(17)20-11-6-12-22(2)3;/h4-5,7-10,23-24H,6,11-12H2,1-3H3,(H,20,21);1H
InChIKeyRSEIMFGLCRQMNF-UHFFFAOYSA-N
XLogP2.89
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.89
H-Bond Donors ≤ 53
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
9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide
CID 21142837
4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride
CID 21142410
N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine;hydrochloride
CID 54607240
N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678504
N-hydroxy-7-methoxy-4-methyl-9-(2-propanoyloxyethylamino)acridin-1-amine oxide
CID 10156910
3-[(4-methyl-1-nitroacridin-9-yl)amino]propyl propanoate;hydrochloride
CID 18505074
N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride
CID 90678432
N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine
CID 10019226
14,16-bis[3-(dimethylamino)propyl]-N-hydroxy-15-sulfanylidene-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-10-amine oxide;hydrochloride
CID 21143832
N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298
9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride
CID 165412452

Frequently Asked Questions

What is the IUPAC name of 9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride?
The IUPAC name of 9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride (CID 21122674) is 9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride.
What is the SMILES notation for 9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride?
The canonical SMILES for 9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride is Cc1ccc([NH+]([O-])O)c2c(NCCCN(C)C)c3ccccc3nc12.Cl.
What is the InChIKey of 9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride?
The InChIKey is RSEIMFGLCRQMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c1-13-9-10-16(23(24)25)17-18(13)21-15-8-5-4-7-14(15)19(17)20-11-6-12-22(2)3;/h4-5,7-10,23-24H,6,11-12H2,1-3H3,(H,20,21);1H.
What are the key properties of 9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride?
9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride is sourced from PubChem (CID 21122674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).