3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one

C87H101FN14O7 — CID 156568928

About 3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one

3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one (PubChem CID 156568928) has the molecular formula C87H101FN14O7 and a molecular weight of 1473.85 g/mol. Its IUPAC name is 3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one.

Molecular Properties

• Compound Name: 3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one
• PubChem CID: 156568928
• Molecular Formula: C87H101FN14O7
• Molecular Weight: 1473.85 g/mol
• Exact Mass: 1472.80
• IUPAC Name: 3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one
• SMILES: CCN1CCC2(CC1)C(=O)N(CCN(C)CCCOc1ccc(-c3ccc4ncc5c(c4c3)C3(CCN(C(C)C)CC3)C(=O)N5C)cn1)c1cnc3ccc(-c4ccc(OCCCN(C)C5CC5N5C(=O)C6(CCOCC6)c6c5cnc5cc(F)c(-c7ccc(OCCCN8CCCCC8)nc7)cc65)nc4)cc3c12
• InChI: InChI=1S/C87H101FN14O7/c1-7-98-35-24-86(25-36-98)80-65-47-59(15-20-69(65)90-55-74(80)101(83(86)104)40-39-95(4)30-11-41-107-76-21-16-60(51-92-76)58-14-19-68-64(46-58)79-73(54-89-68)97(6)82(103)85(79)26-37-100(38-27-85)57(2)3)61-17-22-77(93-52-61)108-42-12-31-96(5)71-50-72(71)102-75-56-91-70-49-67(88)63(48-66(70)81(75)87(84(102)105)28-44-106-45-29-87)62-18-23-78(94-53-62)109-43-13-34-99-32-9-8-10-33-99/h14-23,46-49,51-57,71-72H,7-13,24-45,50H2,1-6H3
• InChIKey: DIFLCTXCXALXPO-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 191.39 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1473.85
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one?

The IUPAC name of 3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one (CID 156568928) is 3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one.

What is the SMILES notation for 3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one?

The canonical SMILES for 3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one is CCN1CCC2(CC1)C(=O)N(CCN(C)CCCOc1ccc(-c3ccc4ncc5c(c4c3)C3(CCN(C(C)C)CC3)C(=O)N5C)cn1)c1cnc3ccc(-c4ccc(OCCCN(C)C5CC5N5C(=O)C6(CCOCC6)c6c5cnc5cc(F)c(-c7ccc(OCCCN8CCCCC8)nc7)cc65)nc4)cc3c12.

What is the InChIKey of 3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one?

The InChIKey is DIFLCTXCXALXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H101FN14O7/c1-7-98-35-24-86(25-36-98)80-65-47-59(15-20-69(65)90-55-74(80)101(83(86)104)40-39-95(4)30-11-41-107-76-21-16-60(51-92-76)58-14-19-68-64(46-58)79-73(54-89-68)97(6)82(103)85(79)26-37-100(38-27-85)57(2)3)61-17-22-77(93-52-61)108-42-12-31-96(5)71-50-72(71)102-75-56-91-70-49-67(88)63(48-66(70)81(75)87(84(102)105)28-44-106-45-29-87)62-18-23-78(94-53-62)109-43-13-34-99-32-9-8-10-33-99/h14-23,46-49,51-57,71-72H,7-13,24-45,50H2,1-6H3.

What are the key properties of 3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one?

3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one has a molecular weight of 1473.85 g/mol, XLogP of 12.67, 25 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[2-[3-[[5-[1-ethyl-3'-[2-[methyl-[3-[[5-(3'-methyl-2'-oxo-1-propan-2-ylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]oxy]propyl]amino]ethyl]-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-pyridinyl]oxy]propyl-methylamino]cyclopropyl]-7'-fluoro-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[oxane-4,1'-pyrrolo[2,3-c]quinoline]-2'-one is sourced from PubChem (CID 156568928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).