2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide

C19H18N8O2S — CID 24599967

IUPAC2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C19H18N8O2S/c28-15(12-26-19(29)27(24-23-26)16-8-5-11-30-16)22-17-18(25-9-3-4-10-25)21-14-7-2-1-6-13(14)20-17/h1-2,5-8,11H,3-4,9-10,12H2,(H,20,22,28)
InChIKeyRGNYDANTSIEMEG-UHFFFAOYSA-N
MW422.47 g/mol
LogP1.67
Rot. Bonds5

About 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide

2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide (PubChem CID 24599967) has the molecular formula C19H18N8O2S and a molecular weight of 422.47 g/mol. Its IUPAC name is 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
PubChem CID24599967
Molecular FormulaC19H18N8O2S
Molecular Weight422.47 g/mol
Exact Mass422.13
IUPAC Name2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C19H18N8O2S/c28-15(12-26-19(29)27(24-23-26)16-8-5-11-30-16)22-17-18(25-9-3-4-10-25)21-14-7-2-1-6-13(14)20-17/h1-2,5-8,11H,3-4,9-10,12H2,(H,20,22,28)
InChIKeyRGNYDANTSIEMEG-UHFFFAOYSA-N
XLogP1.67
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The IUPAC name of 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide (CID 24599967) is 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide.
What is the SMILES notation for 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The canonical SMILES for 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide is O=C(Cn1nnn(-c2cccs2)c1=O)Nc1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The InChIKey is RGNYDANTSIEMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2S/c28-15(12-26-19(29)27(24-23-26)16-8-5-11-30-16)22-17-18(25-9-3-4-10-25)21-14-7-2-1-6-13(14)20-17/h1-2,5-8,11H,3-4,9-10,12H2,(H,20,22,28).
What are the key properties of 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide has a molecular weight of 422.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide is sourced from PubChem (CID 24599967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).