methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate

C55H62FN9O7 — CID 163465328

About methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate

methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate (PubChem CID 163465328) has the molecular formula C55H62FN9O7 and a molecular weight of 980.15 g/mol. Its IUPAC name is methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate.

Molecular Properties

• Compound Name: methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate
• PubChem CID: 163465328
• Molecular Formula: C55H62FN9O7
• Molecular Weight: 980.15 g/mol
• Exact Mass: 979.48
• IUPAC Name: methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate
• SMILES: C.COC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(F)nc4)cc3c12.COC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(OCCCN5CCCCC5)nc4)cc3c12
• InChI: InChI=1S/C31H37N5O4.C23H21FN4O3.CH4/c1-34-26-21-32-25-9-7-22(23-8-10-27(33-20-23)40-18-6-15-35-13-4-3-5-14-35)19-24(25)28(26)31(29(34)37)11-16-36(17-12-31)30(38)39-2;1-27-18-13-25-17-5-3-14(15-4-6-19(24)26-12-15)11-16(17)20(18)23(21(27)29)7-9-28(10-8-23)22(30)31-2;/h7-10,19-21H,3-6,11-18H2,1-2H3;3-6,11-13H,7-10H2,1-2H3;1H4
• InChIKey: BSCJXKSZPFVVFB-UHFFFAOYSA-N
• XLogP: 8.78
• TPSA: 163.73 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	980.15
LogP ≤ 5	8.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate?

The IUPAC name of methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate (CID 163465328) is methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate.

What is the SMILES notation for methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate?

The canonical SMILES for methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate is C.COC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(F)nc4)cc3c12.COC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(OCCCN5CCCCC5)nc4)cc3c12.

What is the InChIKey of methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate?

The InChIKey is BSCJXKSZPFVVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O4.C23H21FN4O3.CH4/c1-34-26-21-32-25-9-7-22(23-8-10-27(33-20-23)40-18-6-15-35-13-4-3-5-14-35)19-24(25)28(26)31(29(34)37)11-16-36(17-12-31)30(38)39-2;1-27-18-13-25-17-5-3-14(15-4-6-19(24)26-12-15)11-16(17)20(18)23(21(27)29)7-9-28(10-8-23)22(30)31-2;/h7-10,19-21H,3-6,11-18H2,1-2H3;3-6,11-13H,7-10H2,1-2H3;1H4.

What are the key properties of methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate?

methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate has a molecular weight of 980.15 g/mol, XLogP of 8.78, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 3'-methyl-2'-oxo-8'-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate is sourced from PubChem (CID 163465328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).