6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline

C20H15NOS — CID 138966890

IUPAC6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline
SMILESCOc1cccc(Sc2cc3cccnc3c3ccccc23)c1
InChIInChI=1S/C20H15NOS/c1-22-15-7-4-8-16(13-15)23-19-12-14-6-5-11-21-20(14)18-10-3-2-9-17(18)19/h2-13H,1H3
InChIKeyLDLQHWTWVBSFCF-UHFFFAOYSA-N
MW317.41 g/mol
LogP5.55
Rot. Bonds3

About 6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline

6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline (PubChem CID 138966890) has the molecular formula C20H15NOS and a molecular weight of 317.41 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline.

Molecular Properties

Compound Name6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline
PubChem CID138966890
Molecular FormulaC20H15NOS
Molecular Weight317.41 g/mol
Exact Mass317.09
IUPAC Name6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline
SMILESCOc1cccc(Sc2cc3cccnc3c3ccccc23)c1
InChIInChI=1S/C20H15NOS/c1-22-15-7-4-8-16(13-15)23-19-12-14-6-5-11-21-20(14)18-10-3-2-9-17(18)19/h2-13H,1H3
InChIKeyLDLQHWTWVBSFCF-UHFFFAOYSA-N
XLogP5.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(5-Cyclohexylpentyl)-3-[(2-methoxyphenyl)methylsulfanyl]quinolin-1-ium iodide
CID 72697302
1-(5-Cyclohexylpentyl)-3-[(3-methoxyphenyl)methylsulfanyl]quinolin-1-ium iodide
CID 72697304
1-(5-Cyclohexylpentyl)-3-(4-methoxyphenyl)sulfanylquinolin-1-ium iodide
CID 73346568
1-(5-Cyclohexylpentyl)-3-(3-methoxyphenyl)sulfanylquinolin-1-ium iodide
CID 53232271
1-(5-Cyclohexylpentyl)-3-[(4-methoxyphenyl)methylsulfanyl]quinolin-1-ium iodide
CID 72697306
3-(3,4-Dimethylphenyl)sulfonyl-7-fluoro-4-(4-methoxyphenyl)quinoline
CID 25167450
3-(3,4-Dimethylphenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline
CID 25168655
7-Fluoro-4-(3-fluorophenyl)-3-(3-methoxyphenyl)sulfonylquinoline
CID 57577165
7-Fluoro-4-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoline
CID 57577173
7-Fluoro-4-(3-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoline
CID 57577198
3-(2-Methoxyphenyl)sulfanyl-1-(5-phenylpentyl)quinolin-1-ium iodide
CID 53231919
3-(3-Methoxyphenyl)sulfanyl-1-(5-phenylpentyl)quinolin-1-ium iodide
CID 53232032

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline?
The IUPAC name of 6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline (CID 138966890) is 6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline.
What is the SMILES notation for 6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline?
The canonical SMILES for 6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline is COc1cccc(Sc2cc3cccnc3c3ccccc23)c1.
What is the InChIKey of 6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline?
The InChIKey is LDLQHWTWVBSFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NOS/c1-22-15-7-4-8-16(13-15)23-19-12-14-6-5-11-21-20(14)18-10-3-2-9-17(18)19/h2-13H,1H3.
What are the key properties of 6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline?
6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline has a molecular weight of 317.41 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)sulfanylbenzo[h]quinoline is sourced from PubChem (CID 138966890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).