[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate

C19H21N3O5 — CID 55525859

IUPAC[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(=O)N1CCN(C(=O)C(C)OC(=O)c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C19H21N3O5/c1-12(18(25)22-9-7-21(8-10-22)13(2)23)27-19(26)15-11-17(24)20-16-6-4-3-5-14(15)16/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)
InChIKeyYBDKGQAXZRSLMK-UHFFFAOYSA-N
MW371.39 g/mol
LogP0.76
Rot. Bonds3

About [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate

[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 55525859) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID55525859
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(=O)N1CCN(C(=O)C(C)OC(=O)c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C19H21N3O5/c1-12(18(25)22-9-7-21(8-10-22)13(2)23)27-19(26)15-11-17(24)20-16-6-4-3-5-14(15)16/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)
InChIKeyYBDKGQAXZRSLMK-UHFFFAOYSA-N
XLogP0.76
TPSA99.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate with MolForge

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Related Compounds

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CID 42915341
(1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate
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[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
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[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7542193
[1-(benzylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 17409936
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 71943605
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
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[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761842
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507662
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529856
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate (CID 55525859) is [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate is CC(=O)N1CCN(C(=O)C(C)OC(=O)c2cc(=O)[nH]c3ccccc23)CC1.
What is the InChIKey of [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is YBDKGQAXZRSLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-12(18(25)22-9-7-21(8-10-22)13(2)23)27-19(26)15-11-17(24)20-16-6-4-3-5-14(15)16/h3-6,11-12H,7-10H2,1-2H3,(H,20,24).
What are the key properties of [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 55525859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).