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

C18H21ClN2O2S — CID 71699942

IUPAC3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride
SMILESCOc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1.Cl
InChIInChI=1S/C18H20N2O2S.ClH/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;1H
InChIKeyYWEKJJDSEKWGPQ-UHFFFAOYSA-N
MW364.90 g/mol
LogP4.27
Rot. Bonds6

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

3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride (PubChem CID 71699942) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride
PubChem CID71699942
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride
SMILESCOc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1.Cl
InChIInChI=1S/C18H20N2O2S.ClH/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;1H
InChIKeyYWEKJJDSEKWGPQ-UHFFFAOYSA-N
XLogP4.27
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 54.27
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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Related Compounds

7-Methoxytacrine
CID 119053
9-Amino-2-methoxyacridine
CID 18867
Ethanamine, N,N-dimethyl-2-((3-(2-methoxyphenyl)-2-quinolinyl)thio)-, monohydrochloride
CID 3069816
N-(6-methoxy-4-methylquinolin-2-yl)-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 9927967
6-Methoxy-3-thiophen-3-yl-quinoline
CID 10083051
Quinolinium, 1-ethyl-2-(ethylthio)-6-methoxy-, iodide (1:1)
CID 114298
N-n-heptyl-7-methoxytacrine hydrochloride
CID 10496398
N-n-hexyl-7-methoxytacrine hydrochloride
CID 52941983
3-(2,7-Dimethoxyacridin-9-ylthio)propan-1-amine
CID 53390843
N-cyclopentyl-2-[(6-methoxy-3-methyl-2-quinolinyl)thio]acetamide
CID 862401
6-Methoxy-2-methylthioquinoline-3-carbonitrile
CID 865458
Ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylbutanoate
CID 3168484

Frequently Asked Questions

What is the IUPAC name of 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride (CID 71699942) is 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride is COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1.Cl.
What is the InChIKey of 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride?
The InChIKey is YWEKJJDSEKWGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S.ClH/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;1H.
What are the key properties of 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride?
3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 4.27, 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;hydrochloride is sourced from PubChem (CID 71699942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).