7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid

C14H7Cl2NO2S — CID 63462654

IUPAC7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccsc2)nc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C14H7Cl2NO2S/c15-10-2-1-8-9(14(18)19)5-11(7-3-4-20-6-7)17-13(8)12(10)16/h1-6H,(H,18,19)
InChIKeyRYYCBDOXFDLWOG-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.97
Rot. Bonds2

About 7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid

7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid (PubChem CID 63462654) has the molecular formula C14H7Cl2NO2S and a molecular weight of 324.19 g/mol. Its IUPAC name is 7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid
PubChem CID63462654
Molecular FormulaC14H7Cl2NO2S
Molecular Weight324.19 g/mol
Exact Mass322.96
IUPAC Name7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccsc2)nc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C14H7Cl2NO2S/c15-10-2-1-8-9(14(18)19)5-11(7-3-4-20-6-7)17-13(8)12(10)16/h1-6H,(H,18,19)
InChIKeyRYYCBDOXFDLWOG-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 7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid?
The IUPAC name of 7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid (CID 63462654) is 7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid?
The canonical SMILES for 7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccsc2)nc2c(Cl)c(Cl)ccc12.
What is the InChIKey of 7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid?
The InChIKey is RYYCBDOXFDLWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2S/c15-10-2-1-8-9(14(18)19)5-11(7-3-4-20-6-7)17-13(8)12(10)16/h1-6H,(H,18,19).
What are the key properties of 7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid?
7,8-dichloro-2-thiophen-3-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 7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 63462654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).