6-(2-methoxyethylsulfanylmethyl)quinoline

C13H15NOS — CID 136532204

IUPAC6-(2-methoxyethylsulfanylmethyl)quinoline
SMILESCOCCSCc1ccc2ncccc2c1
InChIInChI=1S/C13H15NOS/c1-15-7-8-16-10-11-4-5-13-12(9-11)3-2-6-14-13/h2-6,9H,7-8,10H2,1H3
InChIKeyYOMUMUYIENCXCR-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.11
Rot. Bonds5

About 6-(2-methoxyethylsulfanylmethyl)quinoline

6-(2-methoxyethylsulfanylmethyl)quinoline (PubChem CID 136532204) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 6-(2-methoxyethylsulfanylmethyl)quinoline.

Molecular Properties

Compound Name6-(2-methoxyethylsulfanylmethyl)quinoline
PubChem CID136532204
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name6-(2-methoxyethylsulfanylmethyl)quinoline
SMILESCOCCSCc1ccc2ncccc2c1
InChIInChI=1S/C13H15NOS/c1-15-7-8-16-10-11-4-5-13-12(9-11)3-2-6-14-13/h2-6,9H,7-8,10H2,1H3
InChIKeyYOMUMUYIENCXCR-UHFFFAOYSA-N
XLogP3.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol
CID 66105584
2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine
CID 66222730
4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine
CID 62733913
6-(3-methoxyprop-2-enyl)quinoline
CID 169099761
(2R)-2-azaniumyl-3-(quinolin-6-ylmethylsulfanyl)propanoate
CID 28776480
N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine
CID 66353702
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073
6-(2-chloroethyl)quinoline
CID 53404433
6-(2-bromoethyl)quinoline
CID 68811984
2-[1-(quinolin-6-ylmethylsulfanylmethyl)cyclopropyl]acetic acid
CID 65441723
4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline
CID 79142489
ethyl(quinolin-6-ylmethyl)phosphane
CID 142150955

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylsulfanylmethyl)quinoline?
The IUPAC name of 6-(2-methoxyethylsulfanylmethyl)quinoline (CID 136532204) is 6-(2-methoxyethylsulfanylmethyl)quinoline.
What is the SMILES notation for 6-(2-methoxyethylsulfanylmethyl)quinoline?
The canonical SMILES for 6-(2-methoxyethylsulfanylmethyl)quinoline is COCCSCc1ccc2ncccc2c1.
What is the InChIKey of 6-(2-methoxyethylsulfanylmethyl)quinoline?
The InChIKey is YOMUMUYIENCXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-15-7-8-16-10-11-4-5-13-12(9-11)3-2-6-14-13/h2-6,9H,7-8,10H2,1H3.
What are the key properties of 6-(2-methoxyethylsulfanylmethyl)quinoline?
6-(2-methoxyethylsulfanylmethyl)quinoline has a molecular weight of 233.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylsulfanylmethyl)quinoline is sourced from PubChem (CID 136532204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).