methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate

C25H30N2O5 — CID 123845261

IUPACmethyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate
SMILESCCC(=O)N1CCC(C=Cc2ccc3ccc(C(C)OC(C)=O)nc3c2)(C(=O)OC)CC1
InChIInChI=1S/C25H30N2O5/c1-5-23(29)27-14-12-25(13-15-27,24(30)31-4)11-10-19-6-7-20-8-9-21(26-22(20)16-19)17(2)32-18(3)28/h6-11,16-17H,5,12-15H2,1-4H3
InChIKeyYDGNHZYHINOKEX-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.06
Rot. Bonds6

About methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate

methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate (PubChem CID 123845261) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate
PubChem CID123845261
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Namemethyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate
SMILESCCC(=O)N1CCC(C=Cc2ccc3ccc(C(C)OC(C)=O)nc3c2)(C(=O)OC)CC1
InChIInChI=1S/C25H30N2O5/c1-5-23(29)27-14-12-25(13-15-27,24(30)31-4)11-10-19-6-7-20-8-9-21(26-22(20)16-19)17(2)32-18(3)28/h6-11,16-17H,5,12-15H2,1-4H3
InChIKeyYDGNHZYHINOKEX-UHFFFAOYSA-N
XLogP4.06
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 4-oxo-1-[(E)-2-(2-propan-2-ylquinolin-7-yl)ethenyl]cyclohexane-1-carboxylate
CID 118175814
ethyl 4-hydroxy-1-[2-[2-(1-hydroxy-2-methylpropyl)quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate
CID 123517678
ethyl 4-[(E)-2-[2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinolin-7-yl]ethenyl]piperidine-4-carboxylate
CID 146244883
dichloromethane;[(1R)-1-[7-[(E)-3,3-dimethyl-4-oxobut-1-enyl]quinolin-2-yl]ethyl] acetate;[(1R)-1-[7-[(E)-4-hydroxy-3,3-dimethylbut-1-enyl]quinolin-2-yl]ethyl] acetate
CID 160607554
5-[(E)-2-[2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinolin-7-yl]ethenyl]-1,3-dioxane-5-carboxylic acid
CID 118175765
[1-[[(2S)-1-[(3S)-3-carbamoyldiazinan-1-yl]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] 1-[(E)-2-(2-ethylquinolin-7-yl)ethenyl]cyclohexane-1-carboxylate
CID 129107008
tert-butyl N-[1-(7-bromonaphthalen-2-yl)ethyl]carbamate;1-ethenyl-4-methoxycyclohexane-1-carboxylic acid;ethyl 1-ethenyl-4-methoxycyclohexane-1-carboxylate;4-methoxy-1-[(E)-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinolin-7-yl]ethenyl]cyclohexane-1-carboxylic acid
CID 161139510
[1-[2-[2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinolin-7-yl]ethenyl]-4-oxocyclohexyl] formate
CID 123459002
(3S)-1-[(2S)-2-[[(2S)-3-methyl-2-[4-[(E)-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]quinolin-7-yl]ethenyl]-1-(2-methylpropanoyl)piperidine-4-carbonyl]oxybutanoyl]amino]propanoyl]diazinane-3-carboxylic acid
CID 170334397
[1-[[1-(3-carbamoyldiazinan-1-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] 6-[(E)-2-(2-ethylquinolin-7-yl)ethenyl]-1,4-dioxepane-6-carboxylate
CID 134235203
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952106
[(1R)-1-(7-ethenylquinolin-2-yl)ethyl] (3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 126629937

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate (CID 123845261) is methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate is CCC(=O)N1CCC(C=Cc2ccc3ccc(C(C)OC(C)=O)nc3c2)(C(=O)OC)CC1.
What is the InChIKey of methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate?
The InChIKey is YDGNHZYHINOKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-5-23(29)27-14-12-25(13-15-27,24(30)31-4)11-10-19-6-7-20-8-9-21(26-22(20)16-19)17(2)32-18(3)28/h6-11,16-17H,5,12-15H2,1-4H3.
What are the key properties of methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate?
methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate has a molecular weight of 438.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-(1-acetyloxyethyl)quinolin-7-yl]ethenyl]-1-propanoylpiperidine-4-carboxylate is sourced from PubChem (CID 123845261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).