ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one

C71H67N13O14S — CID 158908835

IUPACethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one
SMILESCCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(Cc2ccoc2)c1=O.Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)c3cnccn3)CC2)c2ccccc21.O=C(c1cccs1)N1CCN(c2c([N+](=O)[O-])c(=O)n(CCc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C26H24N4O4S.C26H25N3O6.C19H18N6O4/c31-25(22-11-6-18-35-22)28-16-14-27(15-17-28)23-20-9-4-5-10-21(20)29(26(32)24(23)30(33)34)13-12-19-7-2-1-3-8-19;1-2-34-26(32)22-23(27-10-12-28(13-11-27)24(30)21-8-5-14-35-21)19-6-3-4-7-20(19)29(25(22)31)16-18-9-15-33-17-18;1-22-15-5-3-2-4-13(15)16(17(19(22)27)25(28)29)23-8-10-24(11-9-23)18(26)14-12-20-6-7-21-14/h1-11,18H,12-17H2;3-9,14-15,17H,2,10-13,16H2,1H3;2-7,12H,8-11H2,1H3
InChIKeyJGJQLGBHQMAJMH-UHFFFAOYSA-N
MW1358.46 g/mol
LogP8.75
Rot. Bonds15

About ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one

ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one (PubChem CID 158908835) has the molecular formula C71H67N13O14S and a molecular weight of 1358.46 g/mol. Its IUPAC name is ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one.

Molecular Properties

Compound Nameethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one
PubChem CID158908835
Molecular FormulaC71H67N13O14S
Molecular Weight1358.46 g/mol
Exact Mass1357.47
IUPAC Nameethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one
SMILESCCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(Cc2ccoc2)c1=O.Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)c3cnccn3)CC2)c2ccccc21.O=C(c1cccs1)N1CCN(c2c([N+](=O)[O-])c(=O)n(CCc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C26H24N4O4S.C26H25N3O6.C19H18N6O4/c31-25(22-11-6-18-35-22)28-16-14-27(15-17-28)23-20-9-4-5-10-21(20)29(26(32)24(23)30(33)34)13-12-19-7-2-1-3-8-19;1-2-34-26(32)22-23(27-10-12-28(13-11-27)24(30)21-8-5-14-35-21)19-6-3-4-7-20(19)29(25(22)31)16-18-9-15-33-17-18;1-22-15-5-3-2-4-13(15)16(17(19(22)27)25(28)29)23-8-10-24(11-9-23)18(26)14-12-20-6-7-21-14/h1-11,18H,12-17H2;3-9,14-15,17H,2,10-13,16H2,1H3;2-7,12H,8-11H2,1H3
InChIKeyJGJQLGBHQMAJMH-UHFFFAOYSA-N
XLogP8.75
TPSA301.29 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001358.46
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 1-(cyclohexylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-[5-(trifluoromethyl)thiophene-2-carbonyl]piperazin-1-yl]quinoline-3-carboxylate
CID 158537441
Ethyl 1-(cyclohexylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-[5-(trifluoromethyl)thiophene-2-carbonyl]piperazin-1-yl]quinoline-3-carboxylate;methane
CID 158757158
Ethyl 1-(cyclohexylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-(2,2-dimethylpropyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-[5-(trifluoromethyl)thiophene-2-carbonyl]piperazin-1-yl]quinoline-3-carboxylate
CID 160142274
1-(2,2-Dimethylpropyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-(2,2-dimethylpropyl)-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;ethyl 4-[4-(furan-3-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitro-1-(2,2,2-trifluoroethyl)quinolin-2-one
CID 161741052
Ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-(2-methylpropyl)-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one
CID 157400387
Ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
CID 157587468
Ethyl 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
CID 157916145
Ethyl 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-3-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylate
CID 157958718
Ethyl 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane
CID 158201154
Ethyl 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
CID 158415052
1-(2,2-Dimethylpropyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-[4-(furan-3-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylate;methane
CID 158744232
1-[2-(Dimethylamino)ethyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 159275482

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one?
The IUPAC name of ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one (CID 158908835) is ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one.
What is the SMILES notation for ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one?
The canonical SMILES for ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one is CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(Cc2ccoc2)c1=O.Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)c3cnccn3)CC2)c2ccccc21.O=C(c1cccs1)N1CCN(c2c([N+](=O)[O-])c(=O)n(CCc3ccccc3)c3ccccc23)CC1.
What is the InChIKey of ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one?
The InChIKey is JGJQLGBHQMAJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S.C26H25N3O6.C19H18N6O4/c31-25(22-11-6-18-35-22)28-16-14-27(15-17-28)23-20-9-4-5-10-21(20)29(26(32)24(23)30(33)34)13-12-19-7-2-1-3-8-19;1-2-34-26(32)22-23(27-10-12-28(13-11-27)24(30)21-8-5-14-35-21)19-6-3-4-7-20(19)29(25(22)31)16-18-9-15-33-17-18;1-22-15-5-3-2-4-13(15)16(17(19(22)27)25(28)29)23-8-10-24(11-9-23)18(26)14-12-20-6-7-21-14/h1-11,18H,12-17H2;3-9,14-15,17H,2,10-13,16H2,1H3;2-7,12H,8-11H2,1H3.
What are the key properties of ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one?
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one has a molecular weight of 1358.46 g/mol, XLogP of 8.75, 15 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carboxylate;1-methyl-3-nitro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinolin-2-one;3-nitro-1-(2-phenylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one is sourced from PubChem (CID 158908835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).