N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide

C17H16N4O2 — CID 99784300

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H16N4O2/c22-15-7-8-21(14-4-2-1-3-12(14)15)10-17(23)18-16-9-13(19-20-16)11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H2,18,19,20,23)
InChIKeyCUZJNPWKKXBYFE-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.24
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide (PubChem CID 99784300) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide
PubChem CID99784300
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H16N4O2/c22-15-7-8-21(14-4-2-1-3-12(14)15)10-17(23)18-16-9-13(19-20-16)11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H2,18,19,20,23)
InChIKeyCUZJNPWKKXBYFE-UHFFFAOYSA-N
XLogP2.24
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide (CID 99784300) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide is O=C(Cn1ccc(=O)c2ccccc21)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide?
The InChIKey is CUZJNPWKKXBYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-15-7-8-21(14-4-2-1-3-12(14)15)10-17(23)18-16-9-13(19-20-16)11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H2,18,19,20,23).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 99784300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).