8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol

C17H15NO2S — CID 175775819

IUPAC8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol
SMILESCOc1ccc(COc2cc(S)cc3cccnc23)cc1
InChIInChI=1S/C17H15NO2S/c1-19-14-6-4-12(5-7-14)11-20-16-10-15(21)9-13-3-2-8-18-17(13)16/h2-10,21H,11H2,1H3
InChIKeyAVDMBRSNQJOPQZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.11
Rot. Bonds4

About 8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol

8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol (PubChem CID 175775819) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol.

Molecular Properties

Compound Name8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol
PubChem CID175775819
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol
SMILESCOc1ccc(COc2cc(S)cc3cccnc23)cc1
InChIInChI=1S/C17H15NO2S/c1-19-14-6-4-12(5-7-14)11-20-16-10-15(21)9-13-3-2-8-18-17(13)16/h2-10,21H,11H2,1H3
InChIKeyAVDMBRSNQJOPQZ-UHFFFAOYSA-N
XLogP4.11
TPSA31.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(4-methoxyphenyl)methoxy]-6-[(2-methylpyrazol-3-yl)methylsulfanyl]quinoline
CID 165179158
8-phenylmethoxyquinolin-6-amine
CID 22053377
8-[(2-bromo-5-methoxyphenyl)methoxy]quinoline
CID 25270942
6-ethyl-8-methoxyquinoline
CID 137438692
8-[[4-(1-methoxypentyl)phenyl]methoxy]quinoline
CID 70349001
N-[3-(dimethylamino)propyl]-5-[8-[(4-methoxyphenyl)methoxy]quinolin-6-yl]thiophene-3-carboxamide
CID 171446078
6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline
CID 57350827
2-methoxy-4-[(4-methoxyphenyl)methoxy]pyridine
CID 70697685
3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide
CID 3920678
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine
CID 68874259
7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline
CID 107314495

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol?
The IUPAC name of 8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol (CID 175775819) is 8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol.
What is the SMILES notation for 8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol?
The canonical SMILES for 8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol is COc1ccc(COc2cc(S)cc3cccnc23)cc1.
What is the InChIKey of 8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol?
The InChIKey is AVDMBRSNQJOPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-19-14-6-4-12(5-7-14)11-20-16-10-15(21)9-13-3-2-8-18-17(13)16/h2-10,21H,11H2,1H3.
What are the key properties of 8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol?
8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol has a molecular weight of 297.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyphenyl)methoxy]quinoline-6-thiol is sourced from PubChem (CID 175775819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).