4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid

C16H10N4O3 — CID 135848103

IUPAC4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccn2)c2[nH]c3ccccc3c(=O)c12
InChIInChI=1S/C16H10N4O3/c21-14-9-5-1-2-6-10(9)18-15-12(14)13(16(22)23)19-20(15)11-7-3-4-8-17-11/h1-8H,(H,18,21)(H,22,23)
InChIKeyQEALFRMLVSFQAI-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.96
Rot. Bonds2

About 4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid

4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid (PubChem CID 135848103) has the molecular formula C16H10N4O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid
PubChem CID135848103
Molecular FormulaC16H10N4O3
Molecular Weight306.28 g/mol
Exact Mass306.08
IUPAC Name4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccn2)c2[nH]c3ccccc3c(=O)c12
InChIInChI=1S/C16H10N4O3/c21-14-9-5-1-2-6-10(9)18-15-12(14)13(16(22)23)19-20(15)11-7-3-4-8-17-11/h1-8H,(H,18,21)(H,22,23)
InChIKeyQEALFRMLVSFQAI-UHFFFAOYSA-N
XLogP1.96
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid (CID 135848103) is 4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid is O=C(O)c1nn(-c2ccccn2)c2[nH]c3ccccc3c(=O)c12.
What is the InChIKey of 4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid?
The InChIKey is QEALFRMLVSFQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3/c21-14-9-5-1-2-6-10(9)18-15-12(14)13(16(22)23)19-20(15)11-7-3-4-8-17-11/h1-8H,(H,18,21)(H,22,23).
What are the key properties of 4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid?
4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid has a molecular weight of 306.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid is sourced from PubChem (CID 135848103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).