[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate

C26H28N4O4 — CID 24522199

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H28N4O4/c1-3-21-24(18(2)20-11-7-8-12-22(20)28-21)25(32)34-17-23(31)29-13-15-30(16-14-29)26(33)27-19-9-5-4-6-10-19/h4-12H,3,13-17H2,1-2H3,(H,27,33)
InChIKeySZKLKWHSZQDGQM-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.64
Rot. Bonds5

About [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate

[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate (PubChem CID 24522199) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
PubChem CID24522199
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H28N4O4/c1-3-21-24(18(2)20-11-7-8-12-22(20)28-21)25(32)34-17-23(31)29-13-15-30(16-14-29)26(33)27-19-9-5-4-6-10-19/h4-12H,3,13-17H2,1-2H3,(H,27,33)
InChIKeySZKLKWHSZQDGQM-UHFFFAOYSA-N
XLogP3.64
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 24598754
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8668101
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501904
[2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502181
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-methylpyrazine-2-carboxylate
CID 27212790
[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 42985685
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 39413564
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502572
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate
CID 55443494
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501896
[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2417862
(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501789

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate (CID 24522199) is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate is CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
The InChIKey is SZKLKWHSZQDGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-3-21-24(18(2)20-11-7-8-12-22(20)28-21)25(32)34-17-23(31)29-13-15-30(16-14-29)26(33)27-19-9-5-4-6-10-19/h4-12H,3,13-17H2,1-2H3,(H,27,33).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate has a molecular weight of 460.53 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-ethyl-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 24522199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).