10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium

C17H13FNOS+ — CID 5143943

IUPAC10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium
SMILESCOc1ccc2c3c(c[n+](C)c2c1)sc1ccc(F)cc13
InChIInChI=1S/C17H13FNOS/c1-19-9-16-17(12-5-4-11(20-2)8-14(12)19)13-7-10(18)3-6-15(13)21-16/h3-9H,1-2H3/q+1
InChIKeyJFZXMPSHWROWNY-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.18
Rot. Bonds1

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

10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium (PubChem CID 5143943) has the molecular formula C17H13FNOS+ and a molecular weight of 298.36 g/mol. Its IUPAC name is 10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium.

Molecular Properties

Compound Name10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium
PubChem CID5143943
Molecular FormulaC17H13FNOS+
Molecular Weight298.36 g/mol
Exact Mass298.07
IUPAC Name10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium
SMILESCOc1ccc2c3c(c[n+](C)c2c1)sc1ccc(F)cc13
InChIInChI=1S/C17H13FNOS/c1-19-9-16-17(12-5-4-11(20-2)8-14(12)19)13-7-10(18)3-6-15(13)21-16/h3-9H,1-2H3/q+1
InChIKeyJFZXMPSHWROWNY-UHFFFAOYSA-N
XLogP4.18
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-fluoro-3-methoxy-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

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium?
The IUPAC name of 10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium (CID 5143943) is 10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium.
What is the SMILES notation for 10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium?
The canonical SMILES for 10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium is COc1ccc2c3c(c[n+](C)c2c1)sc1ccc(F)cc13.
What is the InChIKey of 10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium?
The InChIKey is JFZXMPSHWROWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FNOS/c1-19-9-16-17(12-5-4-11(20-2)8-14(12)19)13-7-10(18)3-6-15(13)21-16/h3-9H,1-2H3/q+1.
What are the key properties of 10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium?
10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium has a molecular weight of 298.36 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-3-methoxy-5-methyl-[1]benzothiolo[2,3-c]quinolin-5-ium is sourced from PubChem (CID 5143943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).