N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide

C29H26N6O4 — CID 21143774

IUPACN-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide
SMILES[O-][NH+](O)c1cccc2nc3ccccc3c(NCCCNc3c4ccccc4nc4cccc([NH+]([O-])O)c34)c12
InChIInChI=1S/C29H26N6O4/c36-34(37)24-14-5-12-22-26(24)28(18-8-1-3-10-20(18)32-22)30-16-7-17-31-29-19-9-2-4-11-21(19)33-23-13-6-15-25(27(23)29)35(38)39/h1-6,8-15,34-36,38H,7,16-17H2,(H,30,32)(H,31,33)
InChIKeyYRXOPYSMHFKVQB-UHFFFAOYSA-N
MW522.57 g/mol
LogP3.81
Rot. Bonds8

About N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide

N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide (PubChem CID 21143774) has the molecular formula C29H26N6O4 and a molecular weight of 522.57 g/mol. Its IUPAC name is N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide.

Molecular Properties

Compound NameN-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide
PubChem CID21143774
Molecular FormulaC29H26N6O4
Molecular Weight522.57 g/mol
Exact Mass522.20
IUPAC NameN-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide
SMILES[O-][NH+](O)c1cccc2nc3ccccc3c(NCCCNc3c4ccccc4nc4cccc([NH+]([O-])O)c34)c12
InChIInChI=1S/C29H26N6O4/c36-34(37)24-14-5-12-22-26(24)28(18-8-1-3-10-20(18)32-22)30-16-7-17-31-29-19-9-2-4-11-21(19)33-23-13-6-15-25(27(23)29)35(38)39/h1-6,8-15,34-36,38H,7,16-17H2,(H,30,32)(H,31,33)
InChIKeyYRXOPYSMHFKVQB-UHFFFAOYSA-N
XLogP3.81
TPSA145.30 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 53.81
H-Bond Donors ≤ 56
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'}

Analyze N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(3-aminopropylamino)-N-hydroxyacridin-1-amine oxide
CID 21142837
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,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
4-[(1-nitroacridin-9-yl)amino]butanoic acid
CID 14580025
N'-acridin-9-yl-N-benzylpropane-1,3-diamine
CID 175018670
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
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine
CID 58572013
N,N'-bis(3-methoxyacridin-9-yl)butane-1,4-diamine;hydrochloride
CID 54598620

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide?
The IUPAC name of N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide (CID 21143774) is N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide.
What is the SMILES notation for N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide?
The canonical SMILES for N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide is [O-][NH+](O)c1cccc2nc3ccccc3c(NCCCNc3c4ccccc4nc4cccc([NH+]([O-])O)c34)c12.
What is the InChIKey of N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide?
The InChIKey is YRXOPYSMHFKVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O4/c36-34(37)24-14-5-12-22-26(24)28(18-8-1-3-10-20(18)32-22)30-16-7-17-31-29-19-9-2-4-11-21(19)33-23-13-6-15-25(27(23)29)35(38)39/h1-6,8-15,34-36,38H,7,16-17H2,(H,30,32)(H,31,33).
What are the key properties of N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide?
N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide has a molecular weight of 522.57 g/mol, XLogP of 3.81, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-9-[3-[[1-[hydroxy(oxido)azaniumyl]acridin-9-yl]amino]propylamino]acridin-1-amine oxide is sourced from PubChem (CID 21143774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).