ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate

C19H16N4O3 — CID 14852386

IUPACethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate
SMILESCCOC(=O)c1c(NCc2ccccn2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C19H16N4O3/c1-2-26-19(25)16-15-8-4-6-10-23(15)18(24)14(11-20)17(16)22-12-13-7-3-5-9-21-13/h3-10,22H,2,12H2,1H3
InChIKeyLUYLURHIPAMMBS-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.35
Rot. Bonds5

About ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate

ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate (PubChem CID 14852386) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate
PubChem CID14852386
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Nameethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate
SMILESCCOC(=O)c1c(NCc2ccccn2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C19H16N4O3/c1-2-26-19(25)16-15-8-4-6-10-23(15)18(24)14(11-20)17(16)22-12-13-7-3-5-9-21-13/h3-10,22H,2,12H2,1H3
InChIKeyLUYLURHIPAMMBS-UHFFFAOYSA-N
XLogP2.35
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.35
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-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate?
The IUPAC name of ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate (CID 14852386) is ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate?
The canonical SMILES for ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate is CCOC(=O)c1c(NCc2ccccn2)c(C#N)c(=O)n2ccccc12.
What is the InChIKey of ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate?
The InChIKey is LUYLURHIPAMMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-2-26-19(25)16-15-8-4-6-10-23(15)18(24)14(11-20)17(16)22-12-13-7-3-5-9-21-13/h3-10,22H,2,12H2,1H3.
What are the key properties of ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate?
ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 2.35, 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-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate is sourced from PubChem (CID 14852386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).