3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one

C16H11NO2S — CID 5091486

IUPAC3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
SMILESCOc1ccc2c(c1)[nH]c(=O)c1sc3ccccc3c12
InChIInChI=1S/C16H11NO2S/c1-19-9-6-7-10-12(8-9)17-16(18)15-14(10)11-4-2-3-5-13(11)20-15/h2-8H,1H3,(H,17,18)
InChIKeyGPCQYADOLCARPD-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.90
Rot. Bonds1

About 3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one

3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one (PubChem CID 5091486) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one.

Molecular Properties

Compound Name3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
PubChem CID5091486
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
SMILESCOc1ccc2c(c1)[nH]c(=O)c1sc3ccccc3c12
InChIInChI=1S/C16H11NO2S/c1-19-9-6-7-10-12(8-9)17-16(18)15-14(10)11-4-2-3-5-13(11)20-15/h2-8H,1H3,(H,17,18)
InChIKeyGPCQYADOLCARPD-UHFFFAOYSA-N
XLogP3.90
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
The IUPAC name of 3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one (CID 5091486) is 3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one.
What is the SMILES notation for 3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
The canonical SMILES for 3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one is COc1ccc2c(c1)[nH]c(=O)c1sc3ccccc3c12.
What is the InChIKey of 3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
The InChIKey is GPCQYADOLCARPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2S/c1-19-9-6-7-10-12(8-9)17-16(18)15-14(10)11-4-2-3-5-13(11)20-15/h2-8H,1H3,(H,17,18).
What are the key properties of 3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one has a molecular weight of 281.34 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one is sourced from PubChem (CID 5091486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).