5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid

C14H7Cl2NO2S — CID 106988454

IUPAC5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C14H7Cl2NO2S/c15-8-3-4-9(16)13-12(8)7(14(18)19)6-10(17-13)11-2-1-5-20-11/h1-6H,(H,18,19)
InChIKeyVLLTXQDMOAAWRQ-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.97
Rot. Bonds2

About 5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid

5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid (PubChem CID 106988454) has the molecular formula C14H7Cl2NO2S and a molecular weight of 324.19 g/mol. Its IUPAC name is 5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid
PubChem CID106988454
Molecular FormulaC14H7Cl2NO2S
Molecular Weight324.19 g/mol
Exact Mass322.96
IUPAC Name5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C14H7Cl2NO2S/c15-8-3-4-9(16)13-12(8)7(14(18)19)6-10(17-13)11-2-1-5-20-11/h1-6H,(H,18,19)
InChIKeyVLLTXQDMOAAWRQ-UHFFFAOYSA-N
XLogP4.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid (CID 106988454) is 5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccs2)nc2c(Cl)ccc(Cl)c12.
What is the InChIKey of 5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid?
The InChIKey is VLLTXQDMOAAWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2S/c15-8-3-4-9(16)13-12(8)7(14(18)19)6-10(17-13)11-2-1-5-20-11/h1-6H,(H,18,19).
What are the key properties of 5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid?
5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid has a molecular weight of 324.19 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 106988454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).