4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium

C18H15FNO2S+ — CID 15737179

IUPAC4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium
SMILESCOc1cc2sc3c[n+](C)c4c(F)cccc4c3c2cc1OC
InChIInChI=1S/C18H15FNO2S/c1-20-9-16-17(10-5-4-6-12(19)18(10)20)11-7-13(21-2)14(22-3)8-15(11)23-16/h4-9H,1-3H3/q+1
InChIKeyCHZXMJXMECNQOU-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.19
Rot. Bonds2

About 4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium

4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium (PubChem CID 15737179) has the molecular formula C18H15FNO2S+ and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium.

Molecular Properties

Compound Name4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium
PubChem CID15737179
Molecular FormulaC18H15FNO2S+
Molecular Weight328.39 g/mol
Exact Mass328.08
IUPAC Name4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium
SMILESCOc1cc2sc3c[n+](C)c4c(F)cccc4c3c2cc1OC
InChIInChI=1S/C18H15FNO2S/c1-20-9-16-17(10-5-4-6-12(19)18(10)20)11-7-13(21-2)14(22-3)8-15(11)23-16/h4-9H,1-3H3/q+1
InChIKeyCHZXMJXMECNQOU-UHFFFAOYSA-N
XLogP4.19
TPSA22.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[5-Methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]ethynyl]pyridine
CID 44142497
4-(1-Benzothiophen-5-ylmethyl)-6,7-dimethoxyisoquinoline
CID 74539932
2-[2-[6-(2-Methoxyphenyl)thieno[2,3-f][1,3]benzodioxol-7-yl]ethynyl]pyridine
CID 44142482
4-(4-Fluorophenyl)-6,7-dimethoxy-3-thiophen-3-ylisoquinoline
CID 44142554
1-(3-Chloro-1-benzothiophen-2-yl)-6,7-dimethoxyisoquinoline
CID 71115953
3-(3-Methoxy-1-benzothiophen-2-yl)quinoline
CID 11312364
2-Methoxy-5-methyl-benzothiopheno[3,2-b]quinolin-5-ium
CID 44422482
7-Methoxy-5-methyl-[1]benzothiolo[3,2-b]quinolin-5-ium iodide
CID 53319816
7-Methoxy-5-methyl-benzothiopheno[3,2-b]quinolin-5-ium
CID 53319817
8-Methoxy-5-methyl-[1]benzothiolo[3,2-b]quinolin-5-ium iodide
CID 53319818
8-Methoxy-5-methyl-benzothiopheno[3,2-b]quinolin-5-ium
CID 53319819
10-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 1779948

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium?
The IUPAC name of 4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium (CID 15737179) is 4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium.
What is the SMILES notation for 4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium?
The canonical SMILES for 4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium is COc1cc2sc3c[n+](C)c4c(F)cccc4c3c2cc1OC.
What is the InChIKey of 4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium?
The InChIKey is CHZXMJXMECNQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FNO2S/c1-20-9-16-17(10-5-4-6-12(19)18(10)20)11-7-13(21-2)14(22-3)8-15(11)23-16/h4-9H,1-3H3/q+1.
What are the key properties of 4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium?
4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium has a molecular weight of 328.39 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-9,10-dimethoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium is sourced from PubChem (CID 15737179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).