ethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate

C17H15N5O3 — CID 14852403

IUPACethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1c(NCc2ncc[nH]2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C17H15N5O3/c1-2-25-17(24)14-12-5-3-4-8-22(12)16(23)11(9-18)15(14)21-10-13-19-6-7-20-13/h3-8,21H,2,10H2,1H3,(H,19,20)
InChIKeyIZONNQHULBLKOT-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.68
Rot. Bonds5

About ethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate

ethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate (PubChem CID 14852403) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is ethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate
PubChem CID14852403
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Nameethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1c(NCc2ncc[nH]2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C17H15N5O3/c1-2-25-17(24)14-12-5-3-4-8-22(12)16(23)11(9-18)15(14)21-10-13-19-6-7-20-13/h3-8,21H,2,10H2,1H3,(H,19,20)
InChIKeyIZONNQHULBLKOT-UHFFFAOYSA-N
XLogP1.68
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate
CID 14852386
ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate
CID 14551503
ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate
CID 23046122
ethyl 3-cyano-2-(2-methylprop-2-enylsulfanyl)-4-oxoquinolizine-1-carboxylate
CID 19843302
ethyl 2-[(4-amino-2-methylpyrimidin-5-yl)-methylamino]-3-cyano-4-oxoquinolizine-1-carboxylate
CID 56614968
ethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate
CID 56623522
3-phenylpropyl 3-cyano-4-oxo-2-(2-pyrrolidin-1-ylethylamino)quinolizine-1-carboxylate
CID 14551504
ethyl 3-cyano-2-ethylindolizine-1-carboxylate
CID 86231080
ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
CID 102058257
2,2,2-trichloroethyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate
CID 19843299
butan-2-yl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate
CID 15055682
ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate
CID 142738035

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate?
The IUPAC name of ethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate (CID 14852403) is ethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate?
The canonical SMILES for ethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate is CCOC(=O)c1c(NCc2ncc[nH]2)c(C#N)c(=O)n2ccccc12.
What is the InChIKey of ethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate?
The InChIKey is IZONNQHULBLKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-2-25-17(24)14-12-5-3-4-8-22(12)16(23)11(9-18)15(14)21-10-13-19-6-7-20-13/h3-8,21H,2,10H2,1H3,(H,19,20).
What are the key properties of ethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate?
ethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate has a molecular weight of 337.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate is sourced from PubChem (CID 14852403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).