ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate

C20H25N5O3 — CID 14551503

IUPACethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1c(NC2CN(CC)N(CC)C2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C20H25N5O3/c1-4-23-12-14(13-24(23)5-2)22-18-15(11-21)19(26)25-10-8-7-9-16(25)17(18)20(27)28-6-3/h7-10,14,22H,4-6,12-13H2,1-3H3
InChIKeyRMRRRIZEYONYAN-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.70
Rot. Bonds6

About ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate

ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate (PubChem CID 14551503) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate
PubChem CID14551503
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Nameethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1c(NC2CN(CC)N(CC)C2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C20H25N5O3/c1-4-23-12-14(13-24(23)5-2)22-18-15(11-21)19(26)25-10-8-7-9-16(25)17(18)20(27)28-6-3/h7-10,14,22H,4-6,12-13H2,1-3H3
InChIKeyRMRRRIZEYONYAN-UHFFFAOYSA-N
XLogP1.70
TPSA90.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate with MolForge

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Related Compounds

ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate
CID 14852386
ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate
CID 23046122
ethyl 3-cyano-2-(1H-imidazol-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate
CID 14852403
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
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 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate
CID 142738035

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate?
The IUPAC name of ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate (CID 14551503) is ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate?
The canonical SMILES for ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate is CCOC(=O)c1c(NC2CN(CC)N(CC)C2)c(C#N)c(=O)n2ccccc12.
What is the InChIKey of ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate?
The InChIKey is RMRRRIZEYONYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-4-23-12-14(13-24(23)5-2)22-18-15(11-21)19(26)25-10-8-7-9-16(25)17(18)20(27)28-6-3/h7-10,14,22H,4-6,12-13H2,1-3H3.
What are the key properties of ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate?
ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate is sourced from PubChem (CID 14551503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).