2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine

C20H18N2OS — CID 45112786

IUPAC2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine
SMILESCOc1ccc2nc3ccccc3c(NCCc3cccs3)c2c1
InChIInChI=1S/C20H18N2OS/c1-23-14-8-9-19-17(13-14)20(16-6-2-3-7-18(16)22-19)21-11-10-15-5-4-12-24-15/h2-9,12-13H,10-11H2,1H3,(H,21,22)
InChIKeyHWCBBTAEZDZXNL-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.11
Rot. Bonds5

About 2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine

2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine (PubChem CID 45112786) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine.

Molecular Properties

Compound Name2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine
PubChem CID45112786
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine
SMILESCOc1ccc2nc3ccccc3c(NCCc3cccs3)c2c1
InChIInChI=1S/C20H18N2OS/c1-23-14-8-9-19-17(13-14)20(16-6-2-3-7-18(16)22-19)21-11-10-15-5-4-12-24-15/h2-9,12-13H,10-11H2,1H3,(H,21,22)
InChIKeyHWCBBTAEZDZXNL-UHFFFAOYSA-N
XLogP5.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.11
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'}

Analyze 2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine 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 2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine?
The IUPAC name of 2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine (CID 45112786) is 2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine.
What is the SMILES notation for 2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine?
The canonical SMILES for 2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine is COc1ccc2nc3ccccc3c(NCCc3cccs3)c2c1.
What is the InChIKey of 2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine?
The InChIKey is HWCBBTAEZDZXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-23-14-8-9-19-17(13-14)20(16-6-2-3-7-18(16)22-19)21-11-10-15-5-4-12-24-15/h2-9,12-13H,10-11H2,1H3,(H,21,22).
What are the key properties of 2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine?
2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine has a molecular weight of 334.44 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-thiophen-2-ylethyl)acridin-9-amine is sourced from PubChem (CID 45112786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).