4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one

C15H13N3O2S — CID 8813148

IUPAC4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CSc2ccccn2)c2ccccc2N1
InChIInChI=1S/C15H13N3O2S/c19-13-9-18(12-6-2-1-5-11(12)17-13)15(20)10-21-14-7-3-4-8-16-14/h1-8H,9-10H2,(H,17,19)
InChIKeyNYVFTPKEEOMVKK-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.16
Rot. Bonds3

About 4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one

4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 8813148) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one
PubChem CID8813148
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CSc2ccccn2)c2ccccc2N1
InChIInChI=1S/C15H13N3O2S/c19-13-9-18(12-6-2-1-5-11(12)17-13)15(20)10-21-14-7-3-4-8-16-14/h1-8H,9-10H2,(H,17,19)
InChIKeyNYVFTPKEEOMVKK-UHFFFAOYSA-N
XLogP2.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one (CID 8813148) is 4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CSc2ccccn2)c2ccccc2N1.
What is the InChIKey of 4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is NYVFTPKEEOMVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-13-9-18(12-6-2-1-5-11(12)17-13)15(20)10-21-14-7-3-4-8-16-14/h1-8H,9-10H2,(H,17,19).
What are the key properties of 4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one?
4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 299.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 8813148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).