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

C19H15NO3S — CID 14666687

IUPACmethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C19H15NO3S/c1-23-19(22)15-11-14(12-5-3-2-4-6-12)18(21)20-9-7-13-8-10-24-17(13)16(15)20/h2-6,8,10-11H,7,9H2,1H3
InChIKeyCXPZWTKYWFIICM-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.59
Rot. Bonds2

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

methyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate (PubChem CID 14666687) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is methyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate.

Molecular Properties

Compound Namemethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
PubChem CID14666687
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Namemethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C19H15NO3S/c1-23-19(22)15-11-14(12-5-3-2-4-6-12)18(21)20-9-7-13-8-10-24-17(13)16(15)20/h2-6,8,10-11H,7,9H2,1H3
InChIKeyCXPZWTKYWFIICM-UHFFFAOYSA-N
XLogP3.59
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 10758881
CID 10758881
CID 14770029
CID 14770029
CID 17993308
CID 17993308
CID 19020394
CID 19020394
CID 19020416
CID 19020416
CID 19020443
CID 19020443
CID 19020483
CID 19020483
CID 19020492
CID 19020492
CID 70352147
CID 70352147
CID 70352670
CID 70352670
CID 150715006
CID 150715006
CID 152510654
CID 152510654

Frequently Asked Questions

What is the IUPAC name of methyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The IUPAC name of methyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate (CID 14666687) is methyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate.
What is the SMILES notation for methyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The canonical SMILES for methyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate is COC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2.
What is the InChIKey of methyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The InChIKey is CXPZWTKYWFIICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c1-23-19(22)15-11-14(12-5-3-2-4-6-12)18(21)20-9-7-13-8-10-24-17(13)16(15)20/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of methyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
methyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate has a molecular weight of 337.40 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate is sourced from PubChem (CID 14666687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).