3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine

C18H20N2O2S — CID 53390843

IUPAC3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine
SMILESCOc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1
InChIInChI=1S/C18H20N2O2S/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16/h4-7,10-11H,3,8-9,19H2,1-2H3
InChIKeyZFOMCSNUEHMROO-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.85
Rot. Bonds6

About 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine

3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine (PubChem CID 53390843) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine
PubChem CID53390843
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine
SMILESCOc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1
InChIInChI=1S/C18H20N2O2S/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16/h4-7,10-11H,3,8-9,19H2,1-2H3
InChIKeyZFOMCSNUEHMROO-UHFFFAOYSA-N
XLogP3.85
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.85
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine?
The IUPAC name of 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine (CID 53390843) is 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine.
What is the SMILES notation for 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine?
The canonical SMILES for 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine is COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1.
What is the InChIKey of 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine?
The InChIKey is ZFOMCSNUEHMROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16/h4-7,10-11H,3,8-9,19H2,1-2H3.
What are the key properties of 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine?
3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine has a molecular weight of 328.44 g/mol, XLogP of 3.85, 6 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)sulfanylpropan-1-amine is sourced from PubChem (CID 53390843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).