N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine

C19H23N3O2 — CID 10019226

IUPACN-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(OC)c2c(NCCN(C)C)c3ccccc3nc12
InChIInChI=1S/C19H23N3O2/c1-22(2)12-11-20-18-13-7-5-6-8-14(13)21-19-16(24-4)10-9-15(23-3)17(18)19/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeyLBCCGLOPIUVKJN-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.38
Rot. Bonds6

About N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine

N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 10019226) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID10019226
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(OC)c2c(NCCN(C)C)c3ccccc3nc12
InChIInChI=1S/C19H23N3O2/c1-22(2)12-11-20-18-13-7-5-6-8-14(13)21-19-16(24-4)10-9-15(23-3)17(18)19/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeyLBCCGLOPIUVKJN-UHFFFAOYSA-N
XLogP3.38
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine (CID 10019226) is N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine is COc1ccc(OC)c2c(NCCN(C)C)c3ccccc3nc12.
What is the InChIKey of N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is LBCCGLOPIUVKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(2)12-11-20-18-13-7-5-6-8-14(13)21-19-16(24-4)10-9-15(23-3)17(18)19/h5-10H,11-12H2,1-4H3,(H,20,21).
What are the key properties of N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine?
N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 325.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethoxyacridin-9-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 10019226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).