4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one

C18H16N4O2S2 — CID 2091266

IUPAC4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
SMILESCCc1cc2c(SCC(=O)N3CC(=O)Nc4ccccc43)ncnc2s1
InChIInChI=1S/C18H16N4O2S2/c1-2-11-7-12-17(19-10-20-18(12)26-11)25-9-16(24)22-8-15(23)21-13-5-3-4-6-14(13)22/h3-7,10H,2,8-9H2,1H3,(H,21,23)
InChIKeyGNXRSCQDXLGGAS-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.33
Rot. Bonds4

About 4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 2091266) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is 4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID2091266
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC Name4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
SMILESCCc1cc2c(SCC(=O)N3CC(=O)Nc4ccccc43)ncnc2s1
InChIInChI=1S/C18H16N4O2S2/c1-2-11-7-12-17(19-10-20-18(12)26-11)25-9-16(24)22-8-15(23)21-13-5-3-4-6-14(13)22/h3-7,10H,2,8-9H2,1H3,(H,21,23)
InChIKeyGNXRSCQDXLGGAS-UHFFFAOYSA-N
XLogP3.33
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one (CID 2091266) is 4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one is CCc1cc2c(SCC(=O)N3CC(=O)Nc4ccccc43)ncnc2s1.
What is the InChIKey of 4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is GNXRSCQDXLGGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c1-2-11-7-12-17(19-10-20-18(12)26-11)25-9-16(24)22-8-15(23)21-13-5-3-4-6-14(13)22/h3-7,10H,2,8-9H2,1H3,(H,21,23).
What are the key properties of 4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 384.49 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2091266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).