2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid

C14H10ClN3O2S — CID 116785050

IUPAC2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nccn1-c1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H10ClN3O2S/c15-10-3-4-11(13-9(10)2-1-5-16-13)18-7-6-17-14(18)21-8-12(19)20/h1-7H,8H2,(H,19,20)
InChIKeyQUKFWBOSEGWZNL-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.25
Rot. Bonds4

About 2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid

2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid (PubChem CID 116785050) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is 2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid
PubChem CID116785050
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Name2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nccn1-c1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H10ClN3O2S/c15-10-3-4-11(13-9(10)2-1-5-16-13)18-7-6-17-14(18)21-8-12(19)20/h1-7H,8H2,(H,19,20)
InChIKeyQUKFWBOSEGWZNL-UHFFFAOYSA-N
XLogP3.25
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-chloro-4-iodophenyl)imidazol-2-yl]sulfanylacetic acid
CID 107607136
2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid
CID 29063446
2-[1-(5-chloro-2-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 43438544
2-[1-(2-bromo-5-chlorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 81279832
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063705
2-[1-(3-chloro-5-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 107367987
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838
2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063549
5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline
CID 116785568
2-[1-(3,5-dimethoxyphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063465
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 116783155

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid (CID 116785050) is 2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid is O=C(O)CSc1nccn1-c1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid?
The InChIKey is QUKFWBOSEGWZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-10-3-4-11(13-9(10)2-1-5-16-13)18-7-6-17-14(18)21-8-12(19)20/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid?
2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid has a molecular weight of 319.77 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 116785050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).