N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine

C22H28ClN3O — CID 22709

IUPACN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
SMILESCCN(CC)CCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C22H28ClN3O/c1-4-26(5-2)13-7-6-12-24-22-18-10-8-16(23)14-21(18)25-20-11-9-17(27-3)15-19(20)22/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,25)
InChIKeyTXCSDESMIIXNRY-UHFFFAOYSA-N
MW385.94 g/mol
LogP5.58
Rot. Bonds9

About N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine

N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine (PubChem CID 22709) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
PubChem CID22709
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC NameN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
SMILESCCN(CC)CCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C22H28ClN3O/c1-4-26(5-2)13-7-6-12-24-22-18-10-8-16(23)14-21(18)25-20-11-9-17(27-3)15-19(20)22/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,25)
InChIKeyTXCSDESMIIXNRY-UHFFFAOYSA-N
XLogP5.58
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.94
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-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-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine?
The IUPAC name of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine (CID 22709) is N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine.
What is the SMILES notation for N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine?
The canonical SMILES for N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine is CCN(CC)CCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.
What is the InChIKey of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine?
The InChIKey is TXCSDESMIIXNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-4-26(5-2)13-7-6-12-24-22-18-10-8-16(23)14-21(18)25-20-11-9-17(27-3)15-19(20)22/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,25).
What are the key properties of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine?
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine has a molecular weight of 385.94 g/mol, XLogP of 5.58, 9 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'-diethylbutane-1,4-diamine is sourced from PubChem (CID 22709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).