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

C14H17NO2S — CID 65057227

IUPAC1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2C1CCSC1
InChIInChI=1S/C14H17NO2S/c16-14(17)12-3-1-5-13-11(12)4-2-7-15(13)10-6-8-18-9-10/h1,3,5,10H,2,4,6-9H2,(H,16,17)
InChIKeyXNAGBOQLVRKEKK-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.64
Rot. Bonds2

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

1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 65057227) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID65057227
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2C1CCSC1
InChIInChI=1S/C14H17NO2S/c16-14(17)12-3-1-5-13-11(12)4-2-7-15(13)10-6-8-18-9-10/h1,3,5,10H,2,4,6-9H2,(H,16,17)
InChIKeyXNAGBOQLVRKEKK-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 65057227) is 1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is O=C(O)c1cccc2c1CCCN2C1CCSC1.
What is the InChIKey of 1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is XNAGBOQLVRKEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c16-14(17)12-3-1-5-13-11(12)4-2-7-15(13)10-6-8-18-9-10/h1,3,5,10H,2,4,6-9H2,(H,16,17).
What are the key properties of 1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 263.36 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 65057227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).