10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one

C19H15NO2S — CID 14770037

IUPAC10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
SMILESCC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C19H15NO2S/c1-12(21)15-11-16(13-5-3-2-4-6-13)19(22)20-9-7-14-8-10-23-18(14)17(15)20/h2-6,8,10-11H,7,9H2,1H3
InChIKeyUNZJIMKLYVJDOC-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.00
Rot. Bonds2

About 10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one

10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one (PubChem CID 14770037) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is 10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one.

Molecular Properties

Compound Name10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
PubChem CID14770037
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
SMILESCC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C19H15NO2S/c1-12(21)15-11-16(13-5-3-2-4-6-13)19(22)20-9-7-14-8-10-23-18(14)17(15)20/h2-6,8,10-11H,7,9H2,1H3
InChIKeyUNZJIMKLYVJDOC-UHFFFAOYSA-N
XLogP4.00
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one?
The IUPAC name of 10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one (CID 14770037) is 10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one.
What is the SMILES notation for 10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one?
The canonical SMILES for 10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one is CC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2.
What is the InChIKey of 10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one?
The InChIKey is UNZJIMKLYVJDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c1-12(21)15-11-16(13-5-3-2-4-6-13)19(22)20-9-7-14-8-10-23-18(14)17(15)20/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of 10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one?
10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one has a molecular weight of 321.40 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-acetyl-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one is sourced from PubChem (CID 14770037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).