ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate

C79H80N10O15S — CID 160725605

About ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate

ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate (PubChem CID 160725605) has the molecular formula C79H80N10O15S and a molecular weight of 1441.63 g/mol. Its IUPAC name is ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
• PubChem CID: 160725605
• Molecular Formula: C79H80N10O15S
• Molecular Weight: 1441.63 g/mol
• Exact Mass: 1440.55
• IUPAC Name: ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
• SMILES: CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(C2CCCC2)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(Cc2ccncc2)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2n(Cc2ccoc2)c1=O
• InChI: InChI=1S/C27H26N4O5.C26H25N3O5S.C26H29N3O5/c1-2-35-27(34)23-24(29-13-15-30(16-14-29)25(32)22-8-5-17-36-22)20-6-3-4-7-21(20)31(26(23)33)18-19-9-11-28-12-10-19;1-2-34-26(32)22-23(27-10-12-28(13-11-27)24(30)21-8-5-15-35-21)19-6-3-4-7-20(19)29(25(22)31)16-18-9-14-33-17-18;1-2-33-26(32)22-23(27-13-15-28(16-14-27)24(30)21-12-7-17-34-21)19-10-5-6-11-20(19)29(25(22)31)18-8-3-4-9-18/h3-12,17H,2,13-16,18H2,1H3;3-9,14-15,17H,2,10-13,16H2,1H3;5-7,10-12,17-18H,2-4,8-9,13-16H2,1H3
• InChIKey: RTQYTUPNQYWZBZ-UHFFFAOYSA-N
• XLogP: 10.87
• TPSA: 267.86 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1441.63
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate?

The IUPAC name of ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate (CID 160725605) is ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate.

What is the SMILES notation for ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate?

The canonical SMILES for ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate is CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(C2CCCC2)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(Cc2ccncc2)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2n(Cc2ccoc2)c1=O.

What is the InChIKey of ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate?

The InChIKey is RTQYTUPNQYWZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5.C26H25N3O5S.C26H29N3O5/c1-2-35-27(34)23-24(29-13-15-30(16-14-29)25(32)22-8-5-17-36-22)20-6-3-4-7-21(20)31(26(23)33)18-19-9-11-28-12-10-19;1-2-34-26(32)22-23(27-10-12-28(13-11-27)24(30)21-8-5-15-35-21)19-6-3-4-7-20(19)29(25(22)31)16-18-9-14-33-17-18;1-2-33-26(32)22-23(27-13-15-28(16-14-27)24(30)21-12-7-17-34-21)19-10-5-6-11-20(19)29(25(22)31)18-8-3-4-9-18/h3-12,17H,2,13-16,18H2,1H3;3-9,14-15,17H,2,10-13,16H2,1H3;5-7,10-12,17-18H,2-4,8-9,13-16H2,1H3.

What are the key properties of ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate?

ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate has a molecular weight of 1441.63 g/mol, XLogP of 10.87, 17 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate;ethyl 1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate is sourced from PubChem (CID 160725605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).