7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid

C14H8Cl2N2O2S — CID 115586989

IUPAC7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid
SMILESCc1nc(-c2cc(C(=O)O)c3ccc(Cl)c(Cl)c3n2)cs1
InChIInChI=1S/C14H8Cl2N2O2S/c1-6-17-11(5-21-6)10-4-8(14(19)20)7-2-3-9(15)12(16)13(7)18-10/h2-5H,1H3,(H,19,20)
InChIKeyBMRDIHPITGSVKU-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.67
Rot. Bonds2

About 7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid

7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid (PubChem CID 115586989) has the molecular formula C14H8Cl2N2O2S and a molecular weight of 339.20 g/mol. Its IUPAC name is 7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid
PubChem CID115586989
Molecular FormulaC14H8Cl2N2O2S
Molecular Weight339.20 g/mol
Exact Mass337.97
IUPAC Name7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid
SMILESCc1nc(-c2cc(C(=O)O)c3ccc(Cl)c(Cl)c3n2)cs1
InChIInChI=1S/C14H8Cl2N2O2S/c1-6-17-11(5-21-6)10-4-8(14(19)20)7-2-3-9(15)12(16)13(7)18-10/h2-5H,1H3,(H,19,20)
InChIKeyBMRDIHPITGSVKU-UHFFFAOYSA-N
XLogP4.67
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid?
The IUPAC name of 7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid (CID 115586989) is 7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid is Cc1nc(-c2cc(C(=O)O)c3ccc(Cl)c(Cl)c3n2)cs1.
What is the InChIKey of 7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid?
The InChIKey is BMRDIHPITGSVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2S/c1-6-17-11(5-21-6)10-4-8(14(19)20)7-2-3-9(15)12(16)13(7)18-10/h2-5H,1H3,(H,19,20).
What are the key properties of 7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid?
7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid has a molecular weight of 339.20 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 115586989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).