2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid

C13H9N3O2S — CID 114000571

IUPAC2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(Sc3ncc[nH]3)ccc12
InChIInChI=1S/C13H9N3O2S/c17-12(18)9-2-1-3-10-8(9)4-5-11(16-10)19-13-14-6-7-15-13/h1-7H,(H,14,15)(H,17,18)
InChIKeyWKNQRRFPBBLECO-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.81
Rot. Bonds3

About 2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid

2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid (PubChem CID 114000571) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid
PubChem CID114000571
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC Name2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(Sc3ncc[nH]3)ccc12
InChIInChI=1S/C13H9N3O2S/c17-12(18)9-2-1-3-10-8(9)4-5-11(16-10)19-13-14-6-7-15-13/h1-7H,(H,14,15)(H,17,18)
InChIKeyWKNQRRFPBBLECO-UHFFFAOYSA-N
XLogP2.81
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid
CID 107779248
3-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 107779217
2-(3-methylbutylsulfanyl)quinoline-5-carboxylic acid
CID 107747383
2-bromoquinoline-5-carboxylic acid
CID 174440420
2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid
CID 114570693
1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone
CID 107780515
4-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)benzoic acid
CID 114001043
2-[2-(1H-imidazol-2-ylmethylamino)-2-oxoethyl]benzoic acid
CID 104601596
2-(1H-imidazol-2-ylsulfanyl)-1,3-benzoxazole-6-carboxylic acid
CID 107779175
2-(1,3-thiazol-2-ylsulfanyl)quinoline-4-carboxylic acid
CID 61219501
2-methylsulfanylquinoline-4-carboxylic acid
CID 15179620
quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69438515

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid?
The IUPAC name of 2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid (CID 114000571) is 2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid.
What is the SMILES notation for 2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid?
The canonical SMILES for 2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid is O=C(O)c1cccc2nc(Sc3ncc[nH]3)ccc12.
What is the InChIKey of 2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid?
The InChIKey is WKNQRRFPBBLECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c17-12(18)9-2-1-3-10-8(9)4-5-11(16-10)19-13-14-6-7-15-13/h1-7H,(H,14,15)(H,17,18).
What are the key properties of 2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid?
2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylsulfanyl)quinoline-5-carboxylic acid is sourced from PubChem (CID 114000571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).