ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate

C24H25N3O4 — CID 600176

IUPACethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)CN2CCN(c3ccccc3)CC2)c(=O)n2ccccc12
InChIInChI=1S/C24H25N3O4/c1-2-31-24(30)19-16-20(23(29)27-11-7-6-10-21(19)27)22(28)17-25-12-14-26(15-13-25)18-8-4-3-5-9-18/h3-11,16H,2,12-15,17H2,1H3
InChIKeyXFGOUYGSLUEIJZ-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.48
Rot. Bonds6

About ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate

ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate (PubChem CID 600176) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate
PubChem CID600176
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Nameethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)CN2CCN(c3ccccc3)CC2)c(=O)n2ccccc12
InChIInChI=1S/C24H25N3O4/c1-2-31-24(30)19-16-20(23(29)27-11-7-6-10-21(19)27)22(28)17-25-12-14-26(15-13-25)18-8-4-3-5-9-18/h3-11,16H,2,12-15,17H2,1H3
InChIKeyXFGOUYGSLUEIJZ-UHFFFAOYSA-N
XLogP2.48
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 3-(18O)benzoylindolizine-1-carboxylate
CID 154722794
3-[(1-ethoxycarbonylindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid
CID 141317092
1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 70247357
ethyl 1-naphthalen-1-yl-4-oxoquinolizine-3-carboxylate
CID 15632065
ethyl 4-oxoquinolizine-3-carboxylate
CID 4615166
ethyl 3-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]benzoate
CID 174360988
ethyl 3-hydroxy-4-(4-phenylpiperazin-1-yl)butanoate
CID 82771388
ethyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530322
ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate
CID 146270718

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate?
The IUPAC name of ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate (CID 600176) is ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate.
What is the SMILES notation for ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate?
The canonical SMILES for ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)CN2CCN(c3ccccc3)CC2)c(=O)n2ccccc12.
What is the InChIKey of ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate?
The InChIKey is XFGOUYGSLUEIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-2-31-24(30)19-16-20(23(29)27-11-7-6-10-21(19)27)22(28)17-25-12-14-26(15-13-25)18-8-4-3-5-9-18/h3-11,16H,2,12-15,17H2,1H3.
What are the key properties of ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate?
ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate has a molecular weight of 419.48 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate is sourced from PubChem (CID 600176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).