7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid

C18H13NO3S — CID 14666689

IUPAC7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C18H13NO3S/c20-17-13(11-4-2-1-3-5-11)10-14(18(21)22)15-16-12(7-9-23-16)6-8-19(15)17/h1-5,7,9-10H,6,8H2,(H,21,22)
InChIKeyZZTKQYXAHXVEKH-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.50
Rot. Bonds2

About 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid

7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid (PubChem CID 14666689) has the molecular formula C18H13NO3S and a molecular weight of 323.37 g/mol. Its IUPAC name is 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid.

Molecular Properties

Compound Name7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid
PubChem CID14666689
Molecular FormulaC18H13NO3S
Molecular Weight323.37 g/mol
Exact Mass323.06
IUPAC Name7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C18H13NO3S/c20-17-13(11-4-2-1-3-5-11)10-14(18(21)22)15-16-12(7-9-23-16)6-8-19(15)17/h1-5,7,9-10H,6,8H2,(H,21,22)
InChIKeyZZTKQYXAHXVEKH-UHFFFAOYSA-N
XLogP3.50
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid?
The IUPAC name of 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid (CID 14666689) is 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid.
What is the SMILES notation for 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid?
The canonical SMILES for 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid is O=C(O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2.
What is the InChIKey of 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid?
The InChIKey is ZZTKQYXAHXVEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3S/c20-17-13(11-4-2-1-3-5-11)10-14(18(21)22)15-16-12(7-9-23-16)6-8-19(15)17/h1-5,7,9-10H,6,8H2,(H,21,22).
What are the key properties of 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid?
7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid has a molecular weight of 323.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid is sourced from PubChem (CID 14666689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).