ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate

C19H17N3O3S — CID 23046122

IUPACethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate
SMILESCCOC(=O)c1c(NC(C)c2cccs2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C19H17N3O3S/c1-3-25-19(24)16-14-7-4-5-9-22(14)18(23)13(11-20)17(16)21-12(2)15-8-6-10-26-15/h4-10,12,21H,3H2,1-2H3
InChIKeyWHSYLUSCJAKIQJ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.58
Rot. Bonds5

About ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate

ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate (PubChem CID 23046122) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate
PubChem CID23046122
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Nameethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate
SMILESCCOC(=O)c1c(NC(C)c2cccs2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C19H17N3O3S/c1-3-25-19(24)16-14-7-4-5-9-22(14)18(23)13(11-20)17(16)21-12(2)15-8-6-10-26-15/h4-10,12,21H,3H2,1-2H3
InChIKeyWHSYLUSCJAKIQJ-UHFFFAOYSA-N
XLogP3.58
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate?
The IUPAC name of ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate (CID 23046122) is ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate?
The canonical SMILES for ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate is CCOC(=O)c1c(NC(C)c2cccs2)c(C#N)c(=O)n2ccccc12.
What is the InChIKey of ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate?
The InChIKey is WHSYLUSCJAKIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-3-25-19(24)16-14-7-4-5-9-22(14)18(23)13(11-20)17(16)21-12(2)15-8-6-10-26-15/h4-10,12,21H,3H2,1-2H3.
What are the key properties of ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate?
ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate has a molecular weight of 367.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate is sourced from PubChem (CID 23046122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).