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

C16H14N4O4 — CID 136942108

IUPAC(2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C16H14N4O4/c21-14-9-4-1-2-5-11(9)20-13(18-14)10(8-17-20)15(22)19-7-3-6-12(19)16(23)24/h1-2,4-5,8,12H,3,6-7H2,(H,18,21)(H,23,24)/t12-/m0/s1
InChIKeyLVAKHQVKSGFSAR-LBPRGKRZSA-N
MW326.31 g/mol
LogP0.87
Rot. Bonds2

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

(2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 136942108) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is (2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID136942108
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name(2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C16H14N4O4/c21-14-9-4-1-2-5-11(9)20-13(18-14)10(8-17-20)15(22)19-7-3-6-12(19)16(23)24/h1-2,4-5,8,12H,3,6-7H2,(H,18,21)(H,23,24)/t12-/m0/s1
InChIKeyLVAKHQVKSGFSAR-LBPRGKRZSA-N
XLogP0.87
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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

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

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Related Compounds

4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 137126613
3-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135965959
(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370801
5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 137127730
N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 135925373
(2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922406
(2S)-1-(5-phenyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136462
(2R)-1-(5-phenyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921302
1-(isoquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 120515002
(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
CID 78923013
(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28773312
(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370674

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 136942108) is (2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1cnn2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of (2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LVAKHQVKSGFSAR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H14N4O4/c21-14-9-4-1-2-5-11(9)20-13(18-14)10(8-17-20)15(22)19-7-3-6-12(19)16(23)24/h1-2,4-5,8,12H,3,6-7H2,(H,18,21)(H,23,24)/t12-/m0/s1.
What are the key properties of (2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 326.31 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136942108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).