ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate

C123H160F2N6O25 — CID 159226552

About ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate

ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate (PubChem CID 159226552) has the molecular formula C123H160F2N6O25 and a molecular weight of 2160.65 g/mol. Its IUPAC name is ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate.

Molecular Properties

• Compound Name: ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate
• PubChem CID: 159226552
• Molecular Formula: C123H160F2N6O25
• Molecular Weight: 2160.65 g/mol
• Exact Mass: 2159.14
• IUPAC Name: ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate
• SMILES: CCOC(=O)[C@]12CC(=O)[C@@H]3C[C@]4(CC(O)c5c(c(CC)nc6ccc(OC)cc56)O4)CN3C(=O)[C@@H](CC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]1C2.CCOC(=O)[C@]12CC(=O)[C@@H]3C[C@]4(C[C@@H](F)c5c(c(CC)nc6ccc(OC)cc56)O4)CN3C(=O)[C@@H](CC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]1C2.CCOC(=O)[C@]12CC(=O)[C@@H]3C[C@]4(C[C@H](F)c5c(c(CC)nc6ccc(OC)cc56)O4)CN3C(=O)[C@@H](CC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]1C2
• InChI: InChI=1S/2C41H53FN2O8.C41H54N2O9/c2*1-7-30-36-35(28-19-27(49-6)16-17-31(28)43-30)29(42)21-40(52-36)22-32-33(45)23-41(38(48)50-8-2)20-26(41)15-13-11-9-10-12-14-25(37(47)44(32)24-40)18-34(46)51-39(3,4)5;1-7-29-36-35(28-19-27(49-6)16-17-30(28)42-29)33(45)22-40(52-36)21-31-32(44)23-41(38(48)50-8-2)20-26(41)15-13-11-9-10-12-14-25(37(47)43(31)24-40)18-34(46)51-39(3,4)5/h2*13,15-17,19,25-26,29,32H,7-12,14,18,20-24H2,1-6H3;13,15-17,19,25-26,31,33,45H,7-12,14,18,20-24H2,1-6H3/b3*15-13-/t25-,26-,29+,32+,40-,41-;25-,26-,29-,32+,40-,41-;25-,26-,31+,33?,40+,41-/m111/s1
• InChIKey: KSIZAJVYHJLZCU-JYPTXTPUSA-N
• XLogP: 21.03
• TPSA: 384.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2160.65
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate?

The IUPAC name of ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate (CID 159226552) is ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate.

What is the SMILES notation for ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate?

The canonical SMILES for ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate is CCOC(=O)[C@]12CC(=O)[C@@H]3C[C@]4(CC(O)c5c(c(CC)nc6ccc(OC)cc56)O4)CN3C(=O)[C@@H](CC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]1C2.CCOC(=O)[C@]12CC(=O)[C@@H]3C[C@]4(C[C@@H](F)c5c(c(CC)nc6ccc(OC)cc56)O4)CN3C(=O)[C@@H](CC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]1C2.CCOC(=O)[C@]12CC(=O)[C@@H]3C[C@]4(C[C@H](F)c5c(c(CC)nc6ccc(OC)cc56)O4)CN3C(=O)[C@@H](CC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]1C2.

What is the InChIKey of ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate?

The InChIKey is KSIZAJVYHJLZCU-JYPTXTPUSA-N. The full InChI is InChI=1S/2C41H53FN2O8.C41H54N2O9/c2*1-7-30-36-35(28-19-27(49-6)16-17-31(28)43-30)29(42)21-40(52-36)22-32-33(45)23-41(38(48)50-8-2)20-26(41)15-13-11-9-10-12-14-25(37(47)44(32)24-40)18-34(46)51-39(3,4)5;1-7-29-36-35(28-19-27(49-6)16-17-30(28)42-29)33(45)22-40(52-36)21-31-32(44)23-41(38(48)50-8-2)20-26(41)15-13-11-9-10-12-14-25(37(47)43(31)24-40)18-34(46)51-39(3,4)5/h2*13,15-17,19,25-26,29,32H,7-12,14,18,20-24H2,1-6H3;13,15-17,19,25-26,31,33,45H,7-12,14,18,20-24H2,1-6H3/b3*15-13-/t25-,26-,29+,32+,40-,41-;25-,26-,29-,32+,40-,41-;25-,26-,31+,33?,40+,41-/m111/s1.

What are the key properties of ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate?

ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate has a molecular weight of 2160.65 g/mol, XLogP of 21.03, 18 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (1S,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1R,1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-fluoro-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate;ethyl (1'S,3S,4'R,6'S,7'Z,14'R)-5-ethyl-1-hydroxy-9-methoxy-14'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-16-azatricyclo[14.3.0.04,6]nonadec-7-ene]-4'-carboxylate is sourced from PubChem (CID 159226552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).