6-methoxy-[1]benzothiolo[2,3-c]quinoline

C16H11NOS — CID 5188095

IUPAC6-methoxy-[1]benzothiolo[2,3-c]quinoline
SMILESCOc1nc2ccccc2c2c1sc1ccccc12
InChIInChI=1S/C16H11NOS/c1-18-16-15-14(10-6-2-4-8-12(10)17-16)11-7-3-5-9-13(11)19-15/h2-9H,1H3
InChIKeyDXHFGPAEGHXSPS-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.61
Rot. Bonds1

About 6-methoxy-[1]benzothiolo[2,3-c]quinoline

6-methoxy-[1]benzothiolo[2,3-c]quinoline (PubChem CID 5188095) has the molecular formula C16H11NOS and a molecular weight of 265.34 g/mol. Its IUPAC name is 6-methoxy-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name6-methoxy-[1]benzothiolo[2,3-c]quinoline
PubChem CID5188095
Molecular FormulaC16H11NOS
Molecular Weight265.34 g/mol
Exact Mass265.06
IUPAC Name6-methoxy-[1]benzothiolo[2,3-c]quinoline
SMILESCOc1nc2ccccc2c2c1sc1ccccc12
InChIInChI=1S/C16H11NOS/c1-18-16-15-14(10-6-2-4-8-12(10)17-16)11-7-3-5-9-13(11)19-15/h2-9H,1H3
InChIKeyDXHFGPAEGHXSPS-UHFFFAOYSA-N
XLogP4.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 6-methoxy-[1]benzothiolo[2,3-c]quinoline (CID 5188095) is 6-methoxy-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 6-methoxy-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 6-methoxy-[1]benzothiolo[2,3-c]quinoline is COc1nc2ccccc2c2c1sc1ccccc12.
What is the InChIKey of 6-methoxy-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is DXHFGPAEGHXSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NOS/c1-18-16-15-14(10-6-2-4-8-12(10)17-16)11-7-3-5-9-13(11)19-15/h2-9H,1H3.
What are the key properties of 6-methoxy-[1]benzothiolo[2,3-c]quinoline?
6-methoxy-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 265.34 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 5188095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).