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

C19H17N3O3S — CID 14852396

IUPACethyl 3-cyano-4-oxo-2-(2-thiophen-2-ylethylamino)quinolizine-1-carboxylate
SMILESCCOC(=O)c1c(NCCc2cccs2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C19H17N3O3S/c1-2-25-19(24)16-15-7-3-4-10-22(15)18(23)14(12-20)17(16)21-9-8-13-6-5-11-26-13/h3-7,10-11,21H,2,8-9H2,1H3
InChIKeyCAPBKGQDYSUUFV-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.06
Rot. Bonds6

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

ethyl 3-cyano-4-oxo-2-(2-thiophen-2-ylethylamino)quinolizine-1-carboxylate (PubChem CID 14852396) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is ethyl 3-cyano-4-oxo-2-(2-thiophen-2-ylethylamino)quinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-4-oxo-2-(2-thiophen-2-ylethylamino)quinolizine-1-carboxylate
PubChem CID14852396
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Nameethyl 3-cyano-4-oxo-2-(2-thiophen-2-ylethylamino)quinolizine-1-carboxylate
SMILESCCOC(=O)c1c(NCCc2cccs2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C19H17N3O3S/c1-2-25-19(24)16-15-7-3-4-10-22(15)18(23)14(12-20)17(16)21-9-8-13-6-5-11-26-13/h3-7,10-11,21H,2,8-9H2,1H3
InChIKeyCAPBKGQDYSUUFV-UHFFFAOYSA-N
XLogP3.06
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.06
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-(2-thiophen-2-ylethylamino)quinolizine-1-carboxylate?
The IUPAC name of ethyl 3-cyano-4-oxo-2-(2-thiophen-2-ylethylamino)quinolizine-1-carboxylate (CID 14852396) is ethyl 3-cyano-4-oxo-2-(2-thiophen-2-ylethylamino)quinolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-cyano-4-oxo-2-(2-thiophen-2-ylethylamino)quinolizine-1-carboxylate?
The canonical SMILES for ethyl 3-cyano-4-oxo-2-(2-thiophen-2-ylethylamino)quinolizine-1-carboxylate is CCOC(=O)c1c(NCCc2cccs2)c(C#N)c(=O)n2ccccc12.
What is the InChIKey of ethyl 3-cyano-4-oxo-2-(2-thiophen-2-ylethylamino)quinolizine-1-carboxylate?
The InChIKey is CAPBKGQDYSUUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-2-25-19(24)16-15-7-3-4-10-22(15)18(23)14(12-20)17(16)21-9-8-13-6-5-11-26-13/h3-7,10-11,21H,2,8-9H2,1H3.
What are the key properties of ethyl 3-cyano-4-oxo-2-(2-thiophen-2-ylethylamino)quinolizine-1-carboxylate?
ethyl 3-cyano-4-oxo-2-(2-thiophen-2-ylethylamino)quinolizine-1-carboxylate has a molecular weight of 367.43 g/mol, XLogP of 3.06, 6 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-(2-thiophen-2-ylethylamino)quinolizine-1-carboxylate is sourced from PubChem (CID 14852396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).