5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one

C16H11NOS — CID 10587770

IUPAC5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one
SMILESCn1c2ccccc2c(=O)c2sc3ccccc3c21
InChIInChI=1S/C16H11NOS/c1-17-12-8-4-2-6-10(12)15(18)16-14(17)11-7-3-5-9-13(11)19-16/h2-9H,1H3
InChIKeyATWGXYAUDNNZFU-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.91
Rot. Bonds

About 5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one

5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one (PubChem CID 10587770) has the molecular formula C16H11NOS and a molecular weight of 265.34 g/mol. Its IUPAC name is 5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one.

Molecular Properties

Compound Name5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one
PubChem CID10587770
Molecular FormulaC16H11NOS
Molecular Weight265.34 g/mol
Exact Mass265.06
IUPAC Name5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one
SMILESCn1c2ccccc2c(=O)c2sc3ccccc3c21
InChIInChI=1S/C16H11NOS/c1-17-12-8-4-2-6-10(12)15(18)16-14(17)11-7-3-5-9-13(11)19-16/h2-9H,1H3
InChIKeyATWGXYAUDNNZFU-UHFFFAOYSA-N
XLogP3.91
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one?
The IUPAC name of 5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one (CID 10587770) is 5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one.
What is the SMILES notation for 5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one?
The canonical SMILES for 5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one is Cn1c2ccccc2c(=O)c2sc3ccccc3c21.
What is the InChIKey of 5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one?
The InChIKey is ATWGXYAUDNNZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NOS/c1-17-12-8-4-2-6-10(12)15(18)16-14(17)11-7-3-5-9-13(11)19-16/h2-9H,1H3.
What are the key properties of 5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one?
5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one has a molecular weight of 265.34 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one is sourced from PubChem (CID 10587770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).