3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine

C19H22N2O2S — CID 53475819

IUPAC3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine
SMILESCNCCCSc1c2cc(OC)ccc2nc2ccc(OC)cc12
InChIInChI=1S/C19H22N2O2S/c1-20-9-4-10-24-19-15-11-13(22-2)5-7-17(15)21-18-8-6-14(23-3)12-16(18)19/h5-8,11-12,20H,4,9-10H2,1-3H3
InChIKeyIAHSURMWFSPKKC-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.11
Rot. Bonds7

About 3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine

3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine (PubChem CID 53475819) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine
PubChem CID53475819
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine
SMILESCNCCCSc1c2cc(OC)ccc2nc2ccc(OC)cc12
InChIInChI=1S/C19H22N2O2S/c1-20-9-4-10-24-19-15-11-13(22-2)5-7-17(15)21-18-8-6-14(23-3)12-16(18)19/h5-8,11-12,20H,4,9-10H2,1-3H3
InChIKeyIAHSURMWFSPKKC-UHFFFAOYSA-N
XLogP4.11
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-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 3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine?
The IUPAC name of 3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine (CID 53475819) is 3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine is CNCCCSc1c2cc(OC)ccc2nc2ccc(OC)cc12.
What is the InChIKey of 3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine?
The InChIKey is IAHSURMWFSPKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-20-9-4-10-24-19-15-11-13(22-2)5-7-17(15)21-18-8-6-14(23-3)12-16(18)19/h5-8,11-12,20H,4,9-10H2,1-3H3.
What are the key properties of 3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine?
3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine has a molecular weight of 342.46 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine is sourced from PubChem (CID 53475819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).