4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid

C17H16N4O5 — CID 137126613

IUPAC4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)C1
InChIInChI=1S/C17H16N4O5/c1-26-9-6-13(17(24)25)20(8-9)16(23)11-7-18-21-12-5-3-2-4-10(12)15(22)19-14(11)21/h2-5,7,9,13H,6,8H2,1H3,(H,19,22)(H,24,25)
InChIKeyWMEKTGZLLVHSGE-UHFFFAOYSA-N
MW356.34 g/mol
LogP0.49
Rot. Bonds3

About 4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 137126613) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is 4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID137126613
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC Name4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)C1
InChIInChI=1S/C17H16N4O5/c1-26-9-6-13(17(24)25)20(8-9)16(23)11-7-18-21-12-5-3-2-4-10(12)15(22)19-14(11)21/h2-5,7,9,13H,6,8H2,1H3,(H,19,22)(H,24,25)
InChIKeyWMEKTGZLLVHSGE-UHFFFAOYSA-N
XLogP0.49
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 137126613) is 4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)C1.
What is the InChIKey of 4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WMEKTGZLLVHSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-26-9-6-13(17(24)25)20(8-9)16(23)11-7-18-21-12-5-3-2-4-10(12)15(22)19-14(11)21/h2-5,7,9,13H,6,8H2,1H3,(H,19,22)(H,24,25).
What are the key properties of 4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 356.34 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 137126613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).