3-methoxyquinoline-7-thiol

C10H9NOS — CID 163480444

IUPAC3-methoxyquinoline-7-thiol
SMILESCOc1cnc2cc(S)ccc2c1
InChIInChI=1S/C10H9NOS/c1-12-8-4-7-2-3-9(13)5-10(7)11-6-8/h2-6,13H,1H3
InChIKeyCEBZNDZLLYIAQA-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.53
Rot. Bonds1

About 3-methoxyquinoline-7-thiol

3-methoxyquinoline-7-thiol (PubChem CID 163480444) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-methoxyquinoline-7-thiol.

Molecular Properties

Compound Name3-methoxyquinoline-7-thiol
PubChem CID163480444
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name3-methoxyquinoline-7-thiol
SMILESCOc1cnc2cc(S)ccc2c1
InChIInChI=1S/C10H9NOS/c1-12-8-4-7-2-3-9(13)5-10(7)11-6-8/h2-6,13H,1H3
InChIKeyCEBZNDZLLYIAQA-UHFFFAOYSA-N
XLogP2.53
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyquinoline-7-thiol?
The IUPAC name of 3-methoxyquinoline-7-thiol (CID 163480444) is 3-methoxyquinoline-7-thiol.
What is the SMILES notation for 3-methoxyquinoline-7-thiol?
The canonical SMILES for 3-methoxyquinoline-7-thiol is COc1cnc2cc(S)ccc2c1.
What is the InChIKey of 3-methoxyquinoline-7-thiol?
The InChIKey is CEBZNDZLLYIAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-12-8-4-7-2-3-9(13)5-10(7)11-6-8/h2-6,13H,1H3.
What are the key properties of 3-methoxyquinoline-7-thiol?
3-methoxyquinoline-7-thiol has a molecular weight of 191.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyquinoline-7-thiol is sourced from PubChem (CID 163480444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).