2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid

C11H7N3O4 — CID 68631115

IUPAC2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid
SMILESO=C(O)c1c(=O)[nH]n2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C11H7N3O4/c15-9-7(11(17)18)8-12-6-4-2-1-3-5(6)10(16)14(8)13-9/h1-4,12H,(H,13,15)(H,17,18)
InChIKeyGRAICZQTZNLPGP-UHFFFAOYSA-N
MW245.19 g/mol
LogP0.17
Rot. Bonds1

About 2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid

2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid (PubChem CID 68631115) has the molecular formula C11H7N3O4 and a molecular weight of 245.19 g/mol. Its IUPAC name is 2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid.

Molecular Properties

Compound Name2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid
PubChem CID68631115
Molecular FormulaC11H7N3O4
Molecular Weight245.19 g/mol
Exact Mass245.04
IUPAC Name2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid
SMILESO=C(O)c1c(=O)[nH]n2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C11H7N3O4/c15-9-7(11(17)18)8-12-6-4-2-1-3-5(6)10(16)14(8)13-9/h1-4,12H,(H,13,15)(H,17,18)
InChIKeyGRAICZQTZNLPGP-UHFFFAOYSA-N
XLogP0.17
TPSA107.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid?
The IUPAC name of 2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid (CID 68631115) is 2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid.
What is the SMILES notation for 2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid?
The canonical SMILES for 2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid is O=C(O)c1c(=O)[nH]n2c(=O)c3ccccc3[nH]c12.
What is the InChIKey of 2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid?
The InChIKey is GRAICZQTZNLPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O4/c15-9-7(11(17)18)8-12-6-4-2-1-3-5(6)10(16)14(8)13-9/h1-4,12H,(H,13,15)(H,17,18).
What are the key properties of 2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid?
2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid has a molecular weight of 245.19 g/mol, XLogP of 0.17, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid is sourced from PubChem (CID 68631115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).