ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one

C84H86N18O18 — CID 161133508

IUPACethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one
SMILESCCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(CC(C)C)c1=O.Cc1cc(C(=O)N2CCN(c3c([N+](=O)[O-])c(=O)n(C)c4ccccc34)CC2)no1.Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)c3ccccn3)CC2)c2ccccc21.Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)c3ccncc3)CC2)c2ccccc21
InChIInChI=1S/C25H29N3O5.2C20H19N5O4.C19H19N5O5/c1-4-32-25(31)21-22(18-8-5-6-9-19(18)28(24(21)30)16-17(2)3)26-11-13-27(14-12-26)23(29)20-10-7-15-33-20;1-22-16-8-3-2-6-14(16)17(18(20(22)27)25(28)29)23-10-12-24(13-11-23)19(26)15-7-4-5-9-21-15;1-22-16-5-3-2-4-15(16)17(18(20(22)27)25(28)29)23-10-12-24(13-11-23)19(26)14-6-8-21-9-7-14;1-12-11-14(20-29-12)18(25)23-9-7-22(8-10-23)16-13-5-3-4-6-15(13)21(2)19(26)17(16)24(27)28/h5-10,15,17H,4,11-14,16H2,1-3H3;2*2-9H,10-13H2,1H3;3-6,11H,7-10H2,1-2H3
InChIKeyUMMQQFDITRPSSH-UHFFFAOYSA-N
MW1635.72 g/mol
LogP8.70
Rot. Bonds15

About ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one

ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one (PubChem CID 161133508) has the molecular formula C84H86N18O18 and a molecular weight of 1635.72 g/mol. Its IUPAC name is ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one.

Molecular Properties

Compound Nameethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one
PubChem CID161133508
Molecular FormulaC84H86N18O18
Molecular Weight1635.72 g/mol
Exact Mass1634.64
IUPAC Nameethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one
SMILESCCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(CC(C)C)c1=O.Cc1cc(C(=O)N2CCN(c3c([N+](=O)[O-])c(=O)n(C)c4ccccc34)CC2)no1.Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)c3ccccn3)CC2)c2ccccc21.Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)c3ccncc3)CC2)c2ccccc21
InChIInChI=1S/C25H29N3O5.2C20H19N5O4.C19H19N5O5/c1-4-32-25(31)21-22(18-8-5-6-9-19(18)28(24(21)30)16-17(2)3)26-11-13-27(14-12-26)23(29)20-10-7-15-33-20;1-22-16-8-3-2-6-14(16)17(18(20(22)27)25(28)29)23-10-12-24(13-11-23)19(26)15-7-4-5-9-21-15;1-22-16-5-3-2-4-15(16)17(18(20(22)27)25(28)29)23-10-12-24(13-11-23)19(26)14-6-8-21-9-7-14;1-12-11-14(20-29-12)18(25)23-9-7-22(8-10-23)16-13-5-3-4-6-15(13)21(2)19(26)17(16)24(27)28/h5-10,15,17H,4,11-14,16H2,1-3H3;2*2-9H,10-13H2,1H3;3-6,11H,7-10H2,1-2H3
InChIKeyUMMQQFDITRPSSH-UHFFFAOYSA-N
XLogP8.70
TPSA402.87 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds15
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001635.72
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

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-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one with MolForge

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Related Compounds

ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one
CID 159734911
ethyl 1-methyl-2-oxo-4-[4-(thiolane-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-(thiophen-3-ylmethyl)quinoline-3-carboxylate;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-3-nitroquinolin-2-one
CID 157205036
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-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-benzyl-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1,6-dimethyl-2-oxoquinoline-3-carboxylate
CID 159746864
ethane;ethyl 1-(2,2-dimethylpropyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate
CID 142188022
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate
CID 23543985
1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate
CID 158456136
ethyl 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate
CID 23543888
4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitro-1-(2-phenylethyl)quinolin-2-one
CID 23543846
ethyl 1-(2,2-dimethylpropyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(3H-pyrrole-5-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
CID 158316613
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(naphthalen-2-ylmethyl)-2-oxoquinoline-3-carboxylate
CID 23543890
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylate
CID 23543892

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one?
The IUPAC name of ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one (CID 161133508) is ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one.
What is the SMILES notation for ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one?
The canonical SMILES for ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one is CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(CC(C)C)c1=O.Cc1cc(C(=O)N2CCN(c3c([N+](=O)[O-])c(=O)n(C)c4ccccc34)CC2)no1.Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)c3ccccn3)CC2)c2ccccc21.Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)c3ccncc3)CC2)c2ccccc21.
What is the InChIKey of ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one?
The InChIKey is UMMQQFDITRPSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5.2C20H19N5O4.C19H19N5O5/c1-4-32-25(31)21-22(18-8-5-6-9-19(18)28(24(21)30)16-17(2)3)26-11-13-27(14-12-26)23(29)20-10-7-15-33-20;1-22-16-8-3-2-6-14(16)17(18(20(22)27)25(28)29)23-10-12-24(13-11-23)19(26)15-7-4-5-9-21-15;1-22-16-5-3-2-4-15(16)17(18(20(22)27)25(28)29)23-10-12-24(13-11-23)19(26)14-6-8-21-9-7-14;1-12-11-14(20-29-12)18(25)23-9-7-22(8-10-23)16-13-5-3-4-6-15(13)21(2)19(26)17(16)24(27)28/h5-10,15,17H,4,11-14,16H2,1-3H3;2*2-9H,10-13H2,1H3;3-6,11H,7-10H2,1-2H3.
What are the key properties of ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one?
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one has a molecular weight of 1635.72 g/mol, XLogP of 8.70, 15 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one is sourced from PubChem (CID 161133508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).