methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate

C25H17NO3S — CID 19353618

IUPACmethyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)c(=O)n2ccc3ccsc3c12
InChIInChI=1S/C25H17NO3S/c1-29-25(28)21-15-20(18-9-7-17(8-10-18)16-5-3-2-4-6-16)24(27)26-13-11-19-12-14-30-23(19)22(21)26/h2-15H,1H3
InChIKeyDIMJDSQJNGQIDY-UHFFFAOYSA-N
MW411.48 g/mol
LogP5.63
Rot. Bonds3

About methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate

methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate (PubChem CID 19353618) has the molecular formula C25H17NO3S and a molecular weight of 411.48 g/mol. Its IUPAC name is methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate.

Molecular Properties

Compound Namemethyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate
PubChem CID19353618
Molecular FormulaC25H17NO3S
Molecular Weight411.48 g/mol
Exact Mass411.09
IUPAC Namemethyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)c(=O)n2ccc3ccsc3c12
InChIInChI=1S/C25H17NO3S/c1-29-25(28)21-15-20(18-9-7-17(8-10-18)16-5-3-2-4-6-16)24(27)26-13-11-19-12-14-30-23(19)22(21)26/h2-15H,1H3
InChIKeyDIMJDSQJNGQIDY-UHFFFAOYSA-N
XLogP5.63
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate?
The IUPAC name of methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate (CID 19353618) is methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate.
What is the SMILES notation for methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate?
The canonical SMILES for methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate is COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)c(=O)n2ccc3ccsc3c12.
What is the InChIKey of methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate?
The InChIKey is DIMJDSQJNGQIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO3S/c1-29-25(28)21-15-20(18-9-7-17(8-10-18)16-5-3-2-4-6-16)24(27)26-13-11-19-12-14-30-23(19)22(21)26/h2-15H,1H3.
What are the key properties of methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate?
methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate is sourced from PubChem (CID 19353618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).