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

C24H25N3O4 — CID 42915341

IUPAC[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H25N3O4/c1-17(31-24(30)20-15-22(28)25-21-10-6-5-9-19(20)21)23(29)27-13-11-26(12-14-27)16-18-7-3-2-4-8-18/h2-10,15,17H,11-14,16H2,1H3,(H,25,28)
InChIKeyGHLSKFOJUYVTHZ-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.42
Rot. Bonds5

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

[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 42915341) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID42915341
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H25N3O4/c1-17(31-24(30)20-15-22(28)25-21-10-6-5-9-19(20)21)23(29)27-13-11-26(12-14-27)16-18-7-3-2-4-8-18/h2-10,15,17H,11-14,16H2,1H3,(H,25,28)
InChIKeyGHLSKFOJUYVTHZ-UHFFFAOYSA-N
XLogP2.42
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 55525859
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 26008623
[1-(benzylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 17409936
4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 31280079
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7542193
(1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate
CID 16529843
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 16569616
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 4833570
4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one
CID 36856446
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate
CID 46544154
4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one
CID 13317108
3-amino-1-(4-benzylpiperazin-1-yl)-2-methylbutan-1-one;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate (CID 42915341) is [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate is CC(OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is GHLSKFOJUYVTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-17(31-24(30)20-15-22(28)25-21-10-6-5-9-19(20)21)23(29)27-13-11-26(12-14-27)16-18-7-3-2-4-8-18/h2-10,15,17H,11-14,16H2,1H3,(H,25,28).
What are the key properties of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 419.48 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 42915341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).