[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate

C27H30N4O4 — CID 55553157

IUPAC[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)COC(=O)Cc2cccc3cccnc23)CC1
InChIInChI=1S/C27H30N4O4/c1-19-6-3-7-20(2)26(19)29-23(32)17-30-12-14-31(15-13-30)24(33)18-35-25(34)16-22-9-4-8-21-10-5-11-28-27(21)22/h3-11H,12-18H2,1-2H3,(H,29,32)
InChIKeyNQFWEDZHXYDUAZ-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.72
Rot. Bonds7

About [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate

[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate (PubChem CID 55553157) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate.

Molecular Properties

Compound Name[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate
PubChem CID55553157
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)COC(=O)Cc2cccc3cccnc23)CC1
InChIInChI=1S/C27H30N4O4/c1-19-6-3-7-20(2)26(19)29-23(32)17-30-12-14-31(15-13-30)24(33)18-35-25(34)16-22-9-4-8-21-10-5-11-28-27(21)22/h3-11H,12-18H2,1-2H3,(H,29,32)
InChIKeyNQFWEDZHXYDUAZ-UHFFFAOYSA-N
XLogP2.72
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate with MolForge

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Related Compounds

[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 35520827
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 1-hydroxycyclopentane-1-carboxylate
CID 55998825
ethyl 2-quinolin-8-ylacetate
CID 52562898
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 55476509
2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021527
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 55563253
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2,3-dichlorobenzoate
CID 55475347
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 3-chlorobenzoate
CID 55476155
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
CID 17498739
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 4-butoxybenzoate
CID 55476248
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 3,4-diethoxybenzoate
CID 55475801
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 55505995

Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate?
The IUPAC name of [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate (CID 55553157) is [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate.
What is the SMILES notation for [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate?
The canonical SMILES for [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate is Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COC(=O)Cc2cccc3cccnc23)CC1.
What is the InChIKey of [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate?
The InChIKey is NQFWEDZHXYDUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-19-6-3-7-20(2)26(19)29-23(32)17-30-12-14-31(15-13-30)24(33)18-35-25(34)16-22-9-4-8-21-10-5-11-28-27(21)22/h3-11H,12-18H2,1-2H3,(H,29,32).
What are the key properties of [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate?
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate has a molecular weight of 474.56 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 2-quinolin-8-ylacetate is sourced from PubChem (CID 55553157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).