8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid

C12H9N3O4 — CID 12724757

IUPAC8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid
SMILESCOc1cccc2nc3cc(C(=O)O)[nH]n3c(=O)c12
InChIInChI=1S/C12H9N3O4/c1-19-8-4-2-3-6-10(8)11(16)15-9(13-6)5-7(14-15)12(17)18/h2-5,14H,1H3,(H,17,18)
InChIKeyRMTBFNHTAXAOID-UHFFFAOYSA-N
MW259.22 g/mol
LogP0.88
Rot. Bonds2

About 8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid

8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid (PubChem CID 12724757) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is 8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid
PubChem CID12724757
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid
SMILESCOc1cccc2nc3cc(C(=O)O)[nH]n3c(=O)c12
InChIInChI=1S/C12H9N3O4/c1-19-8-4-2-3-6-10(8)11(16)15-9(13-6)5-7(14-15)12(17)18/h2-5,14H,1H3,(H,17,18)
InChIKeyRMTBFNHTAXAOID-UHFFFAOYSA-N
XLogP0.88
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid?
The IUPAC name of 8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid (CID 12724757) is 8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid.
What is the SMILES notation for 8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid?
The canonical SMILES for 8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid is COc1cccc2nc3cc(C(=O)O)[nH]n3c(=O)c12.
What is the InChIKey of 8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid?
The InChIKey is RMTBFNHTAXAOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c1-19-8-4-2-3-6-10(8)11(16)15-9(13-6)5-7(14-15)12(17)18/h2-5,14H,1H3,(H,17,18).
What are the key properties of 8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid?
8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid has a molecular weight of 259.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid is sourced from PubChem (CID 12724757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).