6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid

C13H9N3O3 — CID 3053394

IUPAC6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid
SMILESC=Cn1cc(C(=O)O)c(=O)c2c3[nH]ncc3ccc21
InChIInChI=1S/C13H9N3O3/c1-2-16-6-8(13(18)19)12(17)10-9(16)4-3-7-5-14-15-11(7)10/h2-6H,1H2,(H,14,15)(H,18,19)
InChIKeyMNCHQZRONIRUIM-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.68
Rot. Bonds2

About 6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid

6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid (PubChem CID 3053394) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid
PubChem CID3053394
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid
SMILESC=Cn1cc(C(=O)O)c(=O)c2c3[nH]ncc3ccc21
InChIInChI=1S/C13H9N3O3/c1-2-16-6-8(13(18)19)12(17)10-9(16)4-3-7-5-14-15-11(7)10/h2-6H,1H2,(H,14,15)(H,18,19)
InChIKeyMNCHQZRONIRUIM-UHFFFAOYSA-N
XLogP1.68
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid?
The IUPAC name of 6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid (CID 3053394) is 6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid.
What is the SMILES notation for 6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid?
The canonical SMILES for 6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid is C=Cn1cc(C(=O)O)c(=O)c2c3[nH]ncc3ccc21.
What is the InChIKey of 6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid?
The InChIKey is MNCHQZRONIRUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c1-2-16-6-8(13(18)19)12(17)10-9(16)4-3-7-5-14-15-11(7)10/h2-6H,1H2,(H,14,15)(H,18,19).
What are the key properties of 6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid?
6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid is sourced from PubChem (CID 3053394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).