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

C89H101Br2F10N15O5 — CID 163721719

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

8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-bromo-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-(6-fluoro-3-pyridinyl)-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane (PubChem CID 163721719) has the molecular formula C89H101Br2F10N15O5 and a molecular weight of 1810.67 g/mol. Its IUPAC name is 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-bromo-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-(6-fluoro-3-pyridinyl)-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane.

Molecular Properties

• Compound Name: 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-bromo-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-(6-fluoro-3-pyridinyl)-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane
• PubChem CID: 163721719
• Molecular Formula: C89H101Br2F10N15O5
• Molecular Weight: 1810.67 g/mol
• Exact Mass: 1807.63
• IUPAC Name: 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-bromo-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-(6-fluoro-3-pyridinyl)-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane
• SMILES: C.C.C.C.CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)C2(CCN(CC(F)(F)F)CC2)C(=O)N4C)cn1.CN1C(=O)C2(CCN(CC(F)(F)F)CC2)c2c1cnc1ccc(-c3ccc(F)nc3)cc21.CN1C(=O)C2(CCN(CC(F)(F)F)CC2)c2c1cnc1ccc(Br)cc21.CN1C(=O)C2(CCNCC2)c2c1cnc1ccc(Br)cc21
• InChI: InChI=1S/C28H32F3N5O2.C23H20F4N4O.C18H17BrF3N3O.C16H16BrN3O.4CH4/c1-34(2)11-4-14-38-24-8-6-20(16-33-24)19-5-7-22-21(15-19)25-23(17-32-22)35(3)26(37)27(25)9-12-36(13-10-27)18-28(29,30)31;1-30-18-12-28-17-4-2-14(15-3-5-19(24)29-11-15)10-16(17)20(18)22(21(30)32)6-8-31(9-7-22)13-23(25,26)27;1-24-14-9-23-13-3-2-11(19)8-12(13)15(14)17(16(24)26)4-6-25(7-5-17)10-18(20,21)22;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;;;;/h5-8,15-17H,4,9-14,18H2,1-3H3;2-5,10-12H,6-9,13H2,1H3;2-3,8-9H,4-7,10H2,1H3;2-3,8-9,18H,4-7H2,1H3;4*1H4
• InChIKey: KSDNSODNDXNUDO-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 192.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1810.67
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

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

The IUPAC name of 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-bromo-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-(6-fluoro-3-pyridinyl)-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane (CID 163721719) is 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-bromo-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-(6-fluoro-3-pyridinyl)-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane.

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

The canonical SMILES for 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-bromo-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-(6-fluoro-3-pyridinyl)-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane is C.C.C.C.CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)C2(CCN(CC(F)(F)F)CC2)C(=O)N4C)cn1.CN1C(=O)C2(CCN(CC(F)(F)F)CC2)c2c1cnc1ccc(-c3ccc(F)nc3)cc21.CN1C(=O)C2(CCN(CC(F)(F)F)CC2)c2c1cnc1ccc(Br)cc21.CN1C(=O)C2(CCNCC2)c2c1cnc1ccc(Br)cc21.

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

The InChIKey is KSDNSODNDXNUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O2.C23H20F4N4O.C18H17BrF3N3O.C16H16BrN3O.4CH4/c1-34(2)11-4-14-38-24-8-6-20(16-33-24)19-5-7-22-21(15-19)25-23(17-32-22)35(3)26(37)27(25)9-12-36(13-10-27)18-28(29,30)31;1-30-18-12-28-17-4-2-14(15-3-5-19(24)29-11-15)10-16(17)20(18)22(21(30)32)6-8-31(9-7-22)13-23(25,26)27;1-24-14-9-23-13-3-2-11(19)8-12(13)15(14)17(16(24)26)4-6-25(7-5-17)10-18(20,21)22;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;;;;/h5-8,15-17H,4,9-14,18H2,1-3H3;2-5,10-12H,6-9,13H2,1H3;2-3,8-9H,4-7,10H2,1H3;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;8'-bromo-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-(6-fluoro-3-pyridinyl)-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane?

8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-bromo-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-(6-fluoro-3-pyridinyl)-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane has a molecular weight of 1810.67 g/mol, XLogP of 17.82, 10 rotatable bonds, 1 hydrogen bond donors, and 16 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;8'-bromo-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-(6-fluoro-3-pyridinyl)-3'-methyl-1-(2,2,2-trifluoroethyl)spiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane is sourced from PubChem (CID 163721719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).