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

C15H13N3O2 — CID 6485381

IUPAC2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid
SMILESCc1nn(C)cc1-c1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H13N3O2/c1-9-12(8-18(2)17-9)14-7-11(15(19)20)10-5-3-4-6-13(10)16-14/h3-8H,1-2H3,(H,19,20)
InChIKeyDZYONTRWZUBEEH-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.64
Rot. Bonds2

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

2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid (PubChem CID 6485381) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid
PubChem CID6485381
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid
SMILESCc1nn(C)cc1-c1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H13N3O2/c1-9-12(8-18(2)17-9)14-7-11(15(19)20)10-5-3-4-6-13(10)16-14/h3-8H,1-2H3,(H,19,20)
InChIKeyDZYONTRWZUBEEH-UHFFFAOYSA-N
XLogP2.64
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid (CID 6485381) is 2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid is Cc1nn(C)cc1-c1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid?
The InChIKey is DZYONTRWZUBEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-12(8-18(2)17-9)14-7-11(15(19)20)10-5-3-4-6-13(10)16-14/h3-8H,1-2H3,(H,19,20).
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid?
2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 6485381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).