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

C16H14N4O4 — CID 136931713

IUPAC2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C16H14N4O4/c21-14-9-3-1-2-4-11(9)20-13(19-14)10(7-17-20)15(22)18-12(16(23)24)8-5-6-8/h1-4,7-8,12H,5-6H2,(H,18,22)(H,19,21)(H,23,24)
InChIKeyRWXMZVKYRXHACJ-UHFFFAOYSA-N
MW326.31 g/mol
LogP0.77
Rot. Bonds4

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

2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid (PubChem CID 136931713) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
PubChem CID136931713
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C16H14N4O4/c21-14-9-3-1-2-4-11(9)20-13(19-14)10(7-17-20)15(22)18-12(16(23)24)8-5-6-8/h1-4,7-8,12H,5-6H2,(H,18,22)(H,19,21)(H,23,24)
InChIKeyRWXMZVKYRXHACJ-UHFFFAOYSA-N
XLogP0.77
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid (CID 136931713) is 2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1cnn2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of 2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid?
The InChIKey is RWXMZVKYRXHACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c21-14-9-3-1-2-4-11(9)20-13(19-14)10(7-17-20)15(22)18-12(16(23)24)8-5-6-8/h1-4,7-8,12H,5-6H2,(H,18,22)(H,19,21)(H,23,24).
What are the key properties of 2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid has a molecular weight of 326.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 136931713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).