[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

C29H28N4O3 — CID 16570188

IUPAC[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C29H28N4O3/c1-20-10-11-22(21(2)17-20)26-18-24(23-7-3-4-8-25(23)31-26)29(35)36-19-28(34)33-15-13-32(14-16-33)27-9-5-6-12-30-27/h3-12,17-18H,13-16,19H2,1-2H3
InChIKeyMLOYGHDIOMDEQM-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.42
Rot. Bonds5

About [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate (PubChem CID 16570188) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
PubChem CID16570188
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC Name[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C29H28N4O3/c1-20-10-11-22(21(2)17-20)26-18-24(23-7-3-4-8-25(23)31-26)29(35)36-19-28(34)33-15-13-32(14-16-33)27-9-5-6-12-30-27/h3-12,17-18H,13-16,19H2,1-2H3
InChIKeyMLOYGHDIOMDEQM-UHFFFAOYSA-N
XLogP4.42
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate with MolForge

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 42971764
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] anthracene-9-carboxylate
CID 27012435
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 55400967
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23938963
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate
CID 18157810
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 3952785
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 16544043
2-(2-methoxy-4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 18104765
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate
CID 38212425
(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119373566
[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6267807

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate (CID 16570188) is [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)OCC(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)c(C)c1.
What is the InChIKey of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The InChIKey is MLOYGHDIOMDEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c1-20-10-11-22(21(2)17-20)26-18-24(23-7-3-4-8-25(23)31-26)29(35)36-19-28(34)33-15-13-32(14-16-33)27-9-5-6-12-30-27/h3-12,17-18H,13-16,19H2,1-2H3.
What are the key properties of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate has a molecular weight of 480.57 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 16570188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).