5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid

C15H12ClN3O2 — CID 65196893

IUPAC5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid
SMILESCc1nn(C)cc1-c1cc(C(=O)O)c2c(Cl)cccc2n1
InChIInChI=1S/C15H12ClN3O2/c1-8-10(7-19(2)18-8)13-6-9(15(20)21)14-11(16)4-3-5-12(14)17-13/h3-7H,1-2H3,(H,20,21)
InChIKeyHRAXIYFNCJQKRK-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.30
Rot. Bonds2

About 5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid

5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid (PubChem CID 65196893) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid
PubChem CID65196893
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid
SMILESCc1nn(C)cc1-c1cc(C(=O)O)c2c(Cl)cccc2n1
InChIInChI=1S/C15H12ClN3O2/c1-8-10(7-19(2)18-8)13-6-9(15(20)21)14-11(16)4-3-5-12(14)17-13/h3-7H,1-2H3,(H,20,21)
InChIKeyHRAXIYFNCJQKRK-UHFFFAOYSA-N
XLogP3.30
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid (CID 65196893) is 5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid is Cc1nn(C)cc1-c1cc(C(=O)O)c2c(Cl)cccc2n1.
What is the InChIKey of 5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid?
The InChIKey is HRAXIYFNCJQKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-8-10(7-19(2)18-8)13-6-9(15(20)21)14-11(16)4-3-5-12(14)17-13/h3-7H,1-2H3,(H,20,21).
What are the key properties of 5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid?
5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid has a molecular weight of 301.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 65196893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).