4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline

C17H12FNO2S — CID 15737173

IUPAC4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline
SMILESCOc1cc2sc3cnc4c(F)cccc4c3c2cc1OC
InChIInChI=1S/C17H12FNO2S/c1-20-12-6-10-14(7-13(12)21-2)22-15-8-19-17-9(16(10)15)4-3-5-11(17)18/h3-8H,1-2H3
InChIKeyLOSHWAZPAUELQY-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.76
Rot. Bonds2

About 4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline

4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline (PubChem CID 15737173) has the molecular formula C17H12FNO2S and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline
PubChem CID15737173
Molecular FormulaC17H12FNO2S
Molecular Weight313.35 g/mol
Exact Mass313.06
IUPAC Name4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline
SMILESCOc1cc2sc3cnc4c(F)cccc4c3c2cc1OC
InChIInChI=1S/C17H12FNO2S/c1-20-12-6-10-14(7-13(12)21-2)22-15-8-19-17-9(16(10)15)4-3-5-11(17)18/h3-8H,1-2H3
InChIKeyLOSHWAZPAUELQY-UHFFFAOYSA-N
XLogP4.76
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline (CID 15737173) is 4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline is COc1cc2sc3cnc4c(F)cccc4c3c2cc1OC.
What is the InChIKey of 4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is LOSHWAZPAUELQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2S/c1-20-12-6-10-14(7-13(12)21-2)22-15-8-19-17-9(16(10)15)4-3-5-11(17)18/h3-8H,1-2H3.
What are the key properties of 4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline?
4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 313.35 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-9,10-dimethoxy-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 15737173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).