2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid

C16H14N4O4 — CID 136990430

IUPAC2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cnn2c1[nH]c(=O)c1ccccc12)C1CC1
InChIInChI=1S/C16H14N4O4/c21-13(22)8-19(9-5-6-9)16(24)11-7-17-20-12-4-2-1-3-10(12)15(23)18-14(11)20/h1-4,7,9H,5-6,8H2,(H,18,23)(H,21,22)
InChIKeyZZZCTBHSGFBRFZ-UHFFFAOYSA-N
MW326.31 g/mol
LogP0.87
Rot. Bonds4

About 2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid

2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid (PubChem CID 136990430) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
PubChem CID136990430
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cnn2c1[nH]c(=O)c1ccccc12)C1CC1
InChIInChI=1S/C16H14N4O4/c21-13(22)8-19(9-5-6-9)16(24)11-7-17-20-12-4-2-1-3-10(12)15(23)18-14(11)20/h1-4,7,9H,5-6,8H2,(H,18,23)(H,21,22)
InChIKeyZZZCTBHSGFBRFZ-UHFFFAOYSA-N
XLogP0.87
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid (CID 136990430) is 2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)c1cnn2c1[nH]c(=O)c1ccccc12)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid?
The InChIKey is ZZZCTBHSGFBRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c21-13(22)8-19(9-5-6-9)16(24)11-7-17-20-12-4-2-1-3-10(12)15(23)18-14(11)20/h1-4,7,9H,5-6,8H2,(H,18,23)(H,21,22).
What are the key properties of 2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid?
2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid has a molecular weight of 326.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 136990430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).