2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid

C14H11N3O2 — CID 6485423

IUPAC2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid
SMILESCn1ccc(-c2cc(C(=O)O)c3ccccc3n2)n1
InChIInChI=1S/C14H11N3O2/c1-17-7-6-12(16-17)13-8-10(14(18)19)9-4-2-3-5-11(9)15-13/h2-8H,1H3,(H,18,19)
InChIKeyILLQJQOHSVFYPT-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.33
Rot. Bonds2

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

2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid (PubChem CID 6485423) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid
PubChem CID6485423
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid
SMILESCn1ccc(-c2cc(C(=O)O)c3ccccc3n2)n1
InChIInChI=1S/C14H11N3O2/c1-17-7-6-12(16-17)13-8-10(14(18)19)9-4-2-3-5-11(9)15-13/h2-8H,1H3,(H,18,19)
InChIKeyILLQJQOHSVFYPT-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid (CID 6485423) is 2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid is Cn1ccc(-c2cc(C(=O)O)c3ccccc3n2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid?
The InChIKey is ILLQJQOHSVFYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-17-7-6-12(16-17)13-8-10(14(18)19)9-4-2-3-5-11(9)15-13/h2-8H,1H3,(H,18,19).
What are the key properties of 2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid?
2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 6485423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).