2-methoxyquinoline-8-thiol

C10H9NOS — CID 25146782

IUPAC2-methoxyquinoline-8-thiol
SMILESCOc1ccc2cccc(S)c2n1
InChIInChI=1S/C10H9NOS/c1-12-9-6-5-7-3-2-4-8(13)10(7)11-9/h2-6,13H,1H3
InChIKeyZUQDVULNFIVDCT-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.53
Rot. Bonds1

About 2-methoxyquinoline-8-thiol

2-methoxyquinoline-8-thiol (PubChem CID 25146782) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-methoxyquinoline-8-thiol.

Molecular Properties

Compound Name2-methoxyquinoline-8-thiol
PubChem CID25146782
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name2-methoxyquinoline-8-thiol
SMILESCOc1ccc2cccc(S)c2n1
InChIInChI=1S/C10H9NOS/c1-12-9-6-5-7-3-2-4-8(13)10(7)11-9/h2-6,13H,1H3
InChIKeyZUQDVULNFIVDCT-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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Related Compounds

tris(2-methoxyquinoline-8-thiolate);rhodium(3+)
CID 25146781
2-methoxy-N,N-dimethylquinolin-8-amine
CID 137448906
2-amino-2-(2-methoxyquinolin-8-yl)ethanol
CID 67131015
2-(2-methoxyquinolin-8-yl)ethanamine
CID 135380052
methyl 8-sulfanylquinoline-2-carboxylate
CID 13378243
7-fluoro-2-methoxy-8-methylquinoline
CID 67547364
2,7-dimethoxyquinolin-8-amine
CID 86241566
N-(2-methoxyquinolin-8-yl)heptanamide
CID 141137919
2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine
CID 20827871
2-(6-methoxy-2-pyridinyl)propanedial
CID 89007961
2-(2,2-dimethoxyethoxy)-8-methylquinoline
CID 155195689
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2-methoxyquinolin-8-yl)ethanol
CID 141137926

Frequently Asked Questions

What is the IUPAC name of 2-methoxyquinoline-8-thiol?
The IUPAC name of 2-methoxyquinoline-8-thiol (CID 25146782) is 2-methoxyquinoline-8-thiol.
What is the SMILES notation for 2-methoxyquinoline-8-thiol?
The canonical SMILES for 2-methoxyquinoline-8-thiol is COc1ccc2cccc(S)c2n1.
What is the InChIKey of 2-methoxyquinoline-8-thiol?
The InChIKey is ZUQDVULNFIVDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-12-9-6-5-7-3-2-4-8(13)10(7)11-9/h2-6,13H,1H3.
What are the key properties of 2-methoxyquinoline-8-thiol?
2-methoxyquinoline-8-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 2-methoxyquinoline-8-thiol is sourced from PubChem (CID 25146782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).