N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine

C20H24ClN3O — CID 12027827

IUPACN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C20H24ClN3O/c1-4-24(5-2)11-10-22-20-16-8-6-14(21)12-19(16)23-18-9-7-15(25-3)13-17(18)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,23)
InChIKeyFZCGXILNOXYREX-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.80
Rot. Bonds7

About N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine

N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 12027827) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID12027827
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C20H24ClN3O/c1-4-24(5-2)11-10-22-20-16-8-6-14(21)12-19(16)23-18-9-7-15(25-3)13-17(18)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,23)
InChIKeyFZCGXILNOXYREX-UHFFFAOYSA-N
XLogP4.80
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine (CID 12027827) is N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.
What is the InChIKey of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is FZCGXILNOXYREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-4-24(5-2)11-10-22-20-16-8-6-14(21)12-19(16)23-18-9-7-15(25-3)13-17(18)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,23).
What are the key properties of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine?
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 357.89 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 12027827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).