4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid

C12H8N4O2 — CID 63374242

IUPAC4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(-n2cncn2)c2ccccc2n1
InChIInChI=1S/C12H8N4O2/c17-12(18)10-5-11(16-7-13-6-14-16)8-3-1-2-4-9(8)15-10/h1-7H,(H,17,18)
InChIKeyUIGPMCGPCTUQRQ-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.51
Rot. Bonds2

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

4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid (PubChem CID 63374242) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid
PubChem CID63374242
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(-n2cncn2)c2ccccc2n1
InChIInChI=1S/C12H8N4O2/c17-12(18)10-5-11(16-7-13-6-14-16)8-3-1-2-4-9(8)15-10/h1-7H,(H,17,18)
InChIKeyUIGPMCGPCTUQRQ-UHFFFAOYSA-N
XLogP1.51
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid?
The IUPAC name of 4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid (CID 63374242) is 4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid is O=C(O)c1cc(-n2cncn2)c2ccccc2n1.
What is the InChIKey of 4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid?
The InChIKey is UIGPMCGPCTUQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-12(18)10-5-11(16-7-13-6-14-16)8-3-1-2-4-9(8)15-10/h1-7H,(H,17,18).
What are the key properties of 4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid?
4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid is sourced from PubChem (CID 63374242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).