ethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane

C80H90N10O14S — CID 161078319

IUPACethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane
SMILESC.C.C.CCOC(=O)c1c(N2CCN(C(=O)c3ccccn3)CC2)c2ccccc2n(C)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(CC(=O)c2ccccc2)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2n(CC2CC2)c1=O
InChIInChI=1S/C29H27N3O6.C25H27N3O4S.C23H24N4O4.3CH4/c1-2-37-29(36)25-26(30-14-16-31(17-15-30)27(34)24-13-8-18-38-24)21-11-6-7-12-22(21)32(28(25)35)19-23(33)20-9-4-3-5-10-20;1-2-32-25(31)21-22(26-11-13-27(14-12-26)23(29)20-8-5-15-33-20)18-6-3-4-7-19(18)28(24(21)30)16-17-9-10-17;1-3-31-23(30)19-20(16-8-4-5-10-18(16)25(2)22(19)29)26-12-14-27(15-13-26)21(28)17-9-6-7-11-24-17;;;/h3-13,18H,2,14-17,19H2,1H3;3-8,15,17H,2,9-14,16H2,1H3;4-11H,3,12-15H2,1-2H3;3*1H4
InChIKeyUFOPQAYBCPKSSA-UHFFFAOYSA-N
MW1447.72 g/mol
LogP11.21
Rot. Bonds17

About ethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane

ethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane (PubChem CID 161078319) has the molecular formula C80H90N10O14S and a molecular weight of 1447.72 g/mol. Its IUPAC name is ethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane.

Molecular Properties

Compound Nameethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane
PubChem CID161078319
Molecular FormulaC80H90N10O14S
Molecular Weight1447.72 g/mol
Exact Mass1446.64
IUPAC Nameethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane
SMILESC.C.C.CCOC(=O)c1c(N2CCN(C(=O)c3ccccn3)CC2)c2ccccc2n(C)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(CC(=O)c2ccccc2)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2n(CC2CC2)c1=O
InChIInChI=1S/C29H27N3O6.C25H27N3O4S.C23H24N4O4.3CH4/c1-2-37-29(36)25-26(30-14-16-31(17-15-30)27(34)24-13-8-18-38-24)21-11-6-7-12-22(21)32(28(25)35)19-23(33)20-9-4-3-5-10-20;1-2-32-25(31)21-22(26-11-13-27(14-12-26)23(29)20-8-5-15-33-20)18-6-3-4-7-19(18)28(24(21)30)16-17-9-10-17;1-3-31-23(30)19-20(16-8-4-5-10-18(16)25(2)22(19)29)26-12-14-27(15-13-26)21(28)17-9-6-7-11-24-17;;;/h3-13,18H,2,14-17,19H2,1H3;3-8,15,17H,2,9-14,16H2,1H3;4-11H,3,12-15H2,1-2H3;3*1H4
InChIKeyUFOPQAYBCPKSSA-UHFFFAOYSA-N
XLogP11.21
TPSA258.65 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001447.72
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane with MolForge

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Related Compounds

1-[2-(Dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;1-[2-(dimethylamino)ethyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 157295302
N-methylbenzamide;N-methylcyclohexanecarboxamide;N-methylcyclopentanecarboxamide;N-methylcyclopropanecarboxamide;N-methylfuran-2-carboxamide;N-methylfuran-3-carboxamide;N-methylnaphthalene-1-carboxamide;N-methylnaphthalene-2-carboxamide;N-methylpyridine-2-carboxamide;N-methylpyridine-3-carboxamide;N-methylpyridine-4-carboxamide;N-methylthiophene-2-carboxamide;N-methylthiophene-3-carboxamide
CID 157462510
1-[(4-Fluorophenyl)methyl]-2-oxo-4-[4-(quinoline-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1,6-dimethyl-2-oxoquinoline-3-carbonitrile;1-(2-methylpropyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 157516240
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
2,3-difluoro-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,5-difluoro-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3,5-difluoro-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)furan-2-carboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)thiophene-2-carboxamide
CID 158098659
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
6-Tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one
CID 158856207
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
Ethyl 4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
CID 158929818

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane?
The IUPAC name of ethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane (CID 161078319) is ethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane.
What is the SMILES notation for ethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane?
The canonical SMILES for ethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane is C.C.C.CCOC(=O)c1c(N2CCN(C(=O)c3ccccn3)CC2)c2ccccc2n(C)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(CC(=O)c2ccccc2)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2n(CC2CC2)c1=O.
What is the InChIKey of ethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane?
The InChIKey is UFOPQAYBCPKSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O6.C25H27N3O4S.C23H24N4O4.3CH4/c1-2-37-29(36)25-26(30-14-16-31(17-15-30)27(34)24-13-8-18-38-24)21-11-6-7-12-22(21)32(28(25)35)19-23(33)20-9-4-3-5-10-20;1-2-32-25(31)21-22(26-11-13-27(14-12-26)23(29)20-8-5-15-33-20)18-6-3-4-7-19(18)28(24(21)30)16-17-9-10-17;1-3-31-23(30)19-20(16-8-4-5-10-18(16)25(2)22(19)29)26-12-14-27(15-13-26)21(28)17-9-6-7-11-24-17;;;/h3-13,18H,2,14-17,19H2,1H3;3-8,15,17H,2,9-14,16H2,1H3;4-11H,3,12-15H2,1-2H3;3*1H4.
What are the key properties of ethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane?
ethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane has a molecular weight of 1447.72 g/mol, XLogP of 11.21, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane is sourced from PubChem (CID 161078319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).