1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one

C18H17N3O2S — CID 17495969

IUPAC1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one
SMILESO=C(Cn1ncc(=O)c2ccccc21)N1CCCC1c1cccs1
InChIInChI=1S/C18H17N3O2S/c22-16-11-19-21(14-6-2-1-5-13(14)16)12-18(23)20-9-3-7-15(20)17-8-4-10-24-17/h1-2,4-6,8,10-11,15H,3,7,9,12H2
InChIKeyHDGMNSSRFVDIQI-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.82
Rot. Bonds3

About 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one

1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one (PubChem CID 17495969) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one
PubChem CID17495969
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one
SMILESO=C(Cn1ncc(=O)c2ccccc21)N1CCCC1c1cccs1
InChIInChI=1S/C18H17N3O2S/c22-16-11-19-21(14-6-2-1-5-13(14)16)12-18(23)20-9-3-7-15(20)17-8-4-10-24-17/h1-2,4-6,8,10-11,15H,3,7,9,12H2
InChIKeyHDGMNSSRFVDIQI-UHFFFAOYSA-N
XLogP2.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one?
The IUPAC name of 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one (CID 17495969) is 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one.
What is the SMILES notation for 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one?
The canonical SMILES for 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one is O=C(Cn1ncc(=O)c2ccccc21)N1CCCC1c1cccs1.
What is the InChIKey of 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one?
The InChIKey is HDGMNSSRFVDIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-16-11-19-21(14-6-2-1-5-13(14)16)12-18(23)20-9-3-7-15(20)17-8-4-10-24-17/h1-2,4-6,8,10-11,15H,3,7,9,12H2.
What are the key properties of 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one?
1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one has a molecular weight of 339.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one is sourced from PubChem (CID 17495969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).