ethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate

C19H17N5O3 — CID 56623522

IUPACethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1c(N(C)c2cncc(C)n2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C19H17N5O3/c1-4-27-19(26)16-14-7-5-6-8-24(14)18(25)13(9-20)17(16)23(3)15-11-21-10-12(2)22-15/h5-8,10-11H,4H2,1-3H3
InChIKeyNUNJIIFQPXWLAT-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.21
Rot. Bonds4

About ethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate

ethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate (PubChem CID 56623522) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is ethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate
PubChem CID56623522
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Nameethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1c(N(C)c2cncc(C)n2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C19H17N5O3/c1-4-27-19(26)16-14-7-5-6-8-24(14)18(25)13(9-20)17(16)23(3)15-11-21-10-12(2)22-15/h5-8,10-11H,4H2,1-3H3
InChIKeyNUNJIIFQPXWLAT-UHFFFAOYSA-N
XLogP2.21
TPSA100.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[(4-amino-2-methylpyrimidin-5-yl)-methylamino]-3-cyano-4-oxoquinolizine-1-carboxylate
CID 56614968
ethyl 3-cyano-2-(2-methylprop-2-enylsulfanyl)-4-oxoquinolizine-1-carboxylate
CID 19843302
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-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate
CID 14852403
ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate
CID 23046122
ethyl 3-cyano-2-ethylindolizine-1-carboxylate
CID 86231080
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
ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
CID 102058257
ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate
CID 4564483

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate?
The IUPAC name of ethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate (CID 56623522) is ethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate?
The canonical SMILES for ethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate is CCOC(=O)c1c(N(C)c2cncc(C)n2)c(C#N)c(=O)n2ccccc12.
What is the InChIKey of ethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate?
The InChIKey is NUNJIIFQPXWLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-4-27-19(26)16-14-7-5-6-8-24(14)18(25)13(9-20)17(16)23(3)15-11-21-10-12(2)22-15/h5-8,10-11H,4H2,1-3H3.
What are the key properties of ethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate?
ethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate has a molecular weight of 363.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-2-[methyl-(6-methylpyrazin-2-yl)amino]-4-oxoquinolizine-1-carboxylate is sourced from PubChem (CID 56623522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).