1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol

C13H19NOS — CID 114337590

IUPAC1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESCCSCCN1CCC(O)c2ccccc21
InChIInChI=1S/C13H19NOS/c1-2-16-10-9-14-8-7-13(15)11-5-3-4-6-12(11)14/h3-6,13,15H,2,7-10H2,1H3
InChIKeyOPCVIKJQGACSKM-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.68
Rot. Bonds4

About 1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol

1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 114337590) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
PubChem CID114337590
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESCCSCCN1CCC(O)c2ccccc21
InChIInChI=1S/C13H19NOS/c1-2-16-10-9-14-8-7-13(15)11-5-3-4-6-12(11)14/h3-6,13,15H,2,7-10H2,1H3
InChIKeyOPCVIKJQGACSKM-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337617
1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337638
1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 106460180
1-[3-(dimethylamino)propyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114526948
1-pent-4-enyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337665
1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol
CID 106460181
1-benzyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337756
2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
CID 114337618
1-octyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338347
1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337680
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337790
1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338475

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol (CID 114337590) is 1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol is CCSCCN1CCC(O)c2ccccc21.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is OPCVIKJQGACSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-16-10-9-14-8-7-13(15)11-5-3-4-6-12(11)14/h3-6,13,15H,2,7-10H2,1H3.
What are the key properties of 1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol?
1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 237.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 114337590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).