8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate

C89H104Br2FN15O11 — CID 163867343

About 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate

8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate (PubChem CID 163867343) has the molecular formula C89H104Br2FN15O11 and a molecular weight of 1738.71 g/mol. Its IUPAC name is 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate.

Molecular Properties

• Compound Name: 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate
• PubChem CID: 163867343
• Molecular Formula: C89H104Br2FN15O11
• Molecular Weight: 1738.71 g/mol
• Exact Mass: 1735.64
• IUPAC Name: 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate
• SMILES: C.C.C.C.CN1C(=O)C2(CCNCC2)c2c1cnc1ccc(Br)cc21.COC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(F)nc4)cc3c12.COC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c12.COC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(Br)cc3c12
• InChI: InChI=1S/C28H33N5O4.C23H21FN4O3.C18H18BrN3O3.C16H16BrN3O.4CH4/c1-31(2)12-5-15-37-24-9-7-20(17-30-24)19-6-8-22-21(16-19)25-23(18-29-22)32(3)26(34)28(25)10-13-33(14-11-28)27(35)36-4;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;1-21-14-10-20-13-4-3-11(19)9-12(13)15(14)18(16(21)23)5-7-22(8-6-18)17(24)25-2;1-20-13-9-19-12-3-2-10(17)8-11(12)14(13)16(15(20)21)4-6-18-7-5-16;;;;/h6-9,16-18H,5,10-15H2,1-4H3;3-6,11-13H,7-10H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;2-3,8-9,18H,4-7H2,1H3;4*1H4
• InChIKey: PHTRFUOVAKWFRK-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 271.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1738.71
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate?

The IUPAC name of 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate (CID 163867343) is 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate.

What is the SMILES notation for 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate?

The canonical SMILES for 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate is C.C.C.C.CN1C(=O)C2(CCNCC2)c2c1cnc1ccc(Br)cc21.COC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(F)nc4)cc3c12.COC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c12.COC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(Br)cc3c12.

What is the InChIKey of 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate?

The InChIKey is PHTRFUOVAKWFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O4.C23H21FN4O3.C18H18BrN3O3.C16H16BrN3O.4CH4/c1-31(2)12-5-15-37-24-9-7-20(17-30-24)19-6-8-22-21(16-19)25-23(18-29-22)32(3)26(34)28(25)10-13-33(14-11-28)27(35)36-4;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;1-21-14-10-20-13-4-3-11(19)9-12(13)15(14)18(16(21)23)5-7-22(8-6-18)17(24)25-2;1-20-13-9-19-12-3-2-10(17)8-11(12)14(13)16(15(20)21)4-6-18-7-5-16;;;;/h6-9,16-18H,5,10-15H2,1-4H3;3-6,11-13H,7-10H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;2-3,8-9,18H,4-7H2,1H3;4*1H4.

What are the key properties of 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate?

8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate has a molecular weight of 1738.71 g/mol, XLogP of 15.43, 7 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;methyl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;methyl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate is sourced from PubChem (CID 163867343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).