4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine

C25H34ClN3 — CID 176557691

IUPAC4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine
SMILESCCCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(CC)cc12
InChIInChI=1S/C25H34ClN3/c1-5-14-29(7-3)15-8-9-18(4)27-25-21-12-11-20(26)17-24(21)28-23-13-10-19(6-2)16-22(23)25/h10-13,16-18H,5-9,14-15H2,1-4H3,(H,27,28)
InChIKeyXWHYRCVVFGDFSV-UHFFFAOYSA-N
MW412.02 g/mol
LogP6.92
Rot. Bonds10

About 4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine

4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine (PubChem CID 176557691) has the molecular formula C25H34ClN3 and a molecular weight of 412.02 g/mol. Its IUPAC name is 4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine
PubChem CID176557691
Molecular FormulaC25H34ClN3
Molecular Weight412.02 g/mol
Exact Mass411.24
IUPAC Name4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine
SMILESCCCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(CC)cc12
InChIInChI=1S/C25H34ClN3/c1-5-14-29(7-3)15-8-9-18(4)27-25-21-12-11-20(26)17-24(21)28-23-13-10-19(6-2)16-22(23)25/h10-13,16-18H,5-9,14-15H2,1-4H3,(H,27,28)
InChIKeyXWHYRCVVFGDFSV-UHFFFAOYSA-N
XLogP6.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.02
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-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 4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine?
The IUPAC name of 4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine (CID 176557691) is 4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine?
The canonical SMILES for 4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine is CCCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(CC)cc12.
What is the InChIKey of 4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine?
The InChIKey is XWHYRCVVFGDFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3/c1-5-14-29(7-3)15-8-9-18(4)27-25-21-12-11-20(26)17-24(21)28-23-13-10-19(6-2)16-22(23)25/h10-13,16-18H,5-9,14-15H2,1-4H3,(H,27,28).
What are the key properties of 4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine?
4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine has a molecular weight of 412.02 g/mol, XLogP of 6.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-chloro-2-ethylacridin-9-yl)-1-N-ethyl-1-N-propylpentane-1,4-diamine is sourced from PubChem (CID 176557691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).