1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

C15H19NO2S — CID 114080266

IUPAC1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCC1SCCC1N1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C15H19NO2S/c1-10-13(7-9-19-10)16-8-3-5-11-12(15(17)18)4-2-6-14(11)16/h2,4,6,10,13H,3,5,7-9H2,1H3,(H,17,18)
InChIKeyCKUZDZXZELSIPB-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.03
Rot. Bonds2

About 1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 114080266) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID114080266
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCC1SCCC1N1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C15H19NO2S/c1-10-13(7-9-19-10)16-8-3-5-11-12(15(17)18)4-2-6-14(11)16/h2,4,6,10,13H,3,5,7-9H2,1H3,(H,17,18)
InChIKeyCKUZDZXZELSIPB-UHFFFAOYSA-N
XLogP3.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 114080266) is 1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is CC1SCCC1N1CCCc2c(C(=O)O)cccc21.
What is the InChIKey of 1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is CKUZDZXZELSIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10-13(7-9-19-10)16-8-3-5-11-12(15(17)18)4-2-6-14(11)16/h2,4,6,10,13H,3,5,7-9H2,1H3,(H,17,18).
What are the key properties of 1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 277.39 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 114080266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).