N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride

C22H25ClN2O2SSn — CID 174261914

IUPACN-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride
SMILESC[SnH](C)CCNC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2.Cl
InChIInChI=1S/C20H17N2O2S.2CH3.ClH.Sn.H/c1-2-21-19(23)16-12-15(13-6-4-3-5-7-13)20(24)22-10-8-14-9-11-25-18(14)17(16)22;;;;;/h3-7,9,11-12H,1-2,8,10H2,(H,21,23);2*1H3;1H;;
InChIKeyLZMPONMTZILIJE-UHFFFAOYSA-N
MW535.69 g/mol
LogP4.44
Rot. Bonds5

About N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride

N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride (PubChem CID 174261914) has the molecular formula C22H25ClN2O2SSn and a molecular weight of 535.69 g/mol. Its IUPAC name is N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride
PubChem CID174261914
Molecular FormulaC22H25ClN2O2SSn
Molecular Weight535.69 g/mol
Exact Mass536.03
IUPAC NameN-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride
SMILESC[SnH](C)CCNC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2.Cl
InChIInChI=1S/C20H17N2O2S.2CH3.ClH.Sn.H/c1-2-21-19(23)16-12-15(13-6-4-3-5-7-13)20(24)22-10-8-14-9-11-25-18(14)17(16)22;;;;;/h3-7,9,11-12H,1-2,8,10H2,(H,21,23);2*1H3;1H;;
InChIKeyLZMPONMTZILIJE-UHFFFAOYSA-N
XLogP4.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.69
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride?
The IUPAC name of N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride (CID 174261914) is N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride?
The canonical SMILES for N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride is C[SnH](C)CCNC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2.Cl.
What is the InChIKey of N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride?
The InChIKey is LZMPONMTZILIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2O2S.2CH3.ClH.Sn.H/c1-2-21-19(23)16-12-15(13-6-4-3-5-7-13)20(24)22-10-8-14-9-11-25-18(14)17(16)22;;;;;/h3-7,9,11-12H,1-2,8,10H2,(H,21,23);2*1H3;1H;;.
What are the key properties of N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride?
N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride has a molecular weight of 535.69 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dimethylstannylethyl)-7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxamide;hydrochloride is sourced from PubChem (CID 174261914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).