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

C12H17NOS — CID 114337617

IUPAC1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESCSCCN1CCC(O)c2ccccc21
InChIInChI=1S/C12H17NOS/c1-15-9-8-13-7-6-12(14)10-4-2-3-5-11(10)13/h2-5,12,14H,6-9H2,1H3
InChIKeyZYBPKQCKMNRQGL-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.29
Rot. Bonds3

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

1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 114337617) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
PubChem CID114337617
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESCSCCN1CCC(O)c2ccccc21
InChIInChI=1S/C12H17NOS/c1-15-9-8-13-7-6-12(14)10-4-2-3-5-11(10)13/h2-5,12,14H,6-9H2,1H3
InChIKeyZYBPKQCKMNRQGL-UHFFFAOYSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337590
1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337638
1-[3-(dimethylamino)propyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114526948
1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 106460180
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-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338475
1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338433
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol (CID 114337617) is 1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol is CSCCN1CCC(O)c2ccccc21.
What is the InChIKey of 1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is ZYBPKQCKMNRQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-15-9-8-13-7-6-12(14)10-4-2-3-5-11(10)13/h2-5,12,14H,6-9H2,1H3.
What are the key properties of 1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol?
1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 223.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 114337617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).