3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C14H12N2O3S — CID 62848994

IUPAC3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H12N2O3S/c17-13(16-8-20-7-12(16)14(18)19)10-3-4-11-9(6-10)2-1-5-15-11/h1-6,12H,7-8H2,(H,18,19)
InChIKeyPYQBCXFLNZMAHY-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.83
Rot. Bonds2

About 3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62848994) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID62848994
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H12N2O3S/c17-13(16-8-20-7-12(16)14(18)19)10-3-4-11-9(6-10)2-1-5-15-11/h1-6,12H,7-8H2,(H,18,19)
InChIKeyPYQBCXFLNZMAHY-UHFFFAOYSA-N
XLogP1.83
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 13375478
(4R)-3-(1,3-benzothiazole-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143328
3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43329177
3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359495
3-(3-methylsulfonylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43099503
(4R)-3-(3-methylsulfonylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 29045368
3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62781800
(2S,3aR,7aR)-1-(quinoline-6-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124731470
1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone
CID 127041508
3-[3-(methylsulfanylmethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359431
(1S)-2-(quinoline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 97316918

Frequently Asked Questions

What is the IUPAC name of 3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 62848994) is 3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1ccc2ncccc2c1.
What is the InChIKey of 3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PYQBCXFLNZMAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-13(16-8-20-7-12(16)14(18)19)10-3-4-11-9(6-10)2-1-5-15-11/h1-6,12H,7-8H2,(H,18,19).
What are the key properties of 3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62848994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).