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

C95H116Br2FN15O11 — CID 163962858

About 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;propan-2-yl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 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;propan-2-yl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate (PubChem CID 163962858) has the molecular formula C95H116Br2FN15O11 and a molecular weight of 1822.87 g/mol. Its IUPAC name is 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;propan-2-yl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 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;propan-2-yl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate
• PubChem CID: 163962858
• Molecular Formula: C95H116Br2FN15O11
• Molecular Weight: 1822.87 g/mol
• Exact Mass: 1819.73
• IUPAC Name: 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;propan-2-yl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate
• SMILES: C.C.C.C.CC(C)OC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(F)nc4)cc3c12.CC(C)OC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c12.CC(C)OC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(Br)cc3c12.CN1C(=O)C2(CCNCC2)c2c1cnc1ccc(Br)cc21
• InChI: InChI=1S/C30H37N5O4.C25H25FN4O3.C20H22BrN3O3.C16H16BrN3O.4CH4/c1-20(2)39-29(37)35-14-11-30(12-15-35)27-23-17-21(7-9-24(23)31-19-25(27)34(5)28(30)36)22-8-10-26(32-18-22)38-16-6-13-33(3)4;1-15(2)33-24(32)30-10-8-25(9-11-30)22-18-12-16(17-5-7-21(26)28-13-17)4-6-19(18)27-14-20(22)29(3)23(25)31;1-12(2)27-19(26)24-8-6-20(7-9-24)17-14-10-13(21)4-5-15(14)22-11-16(17)23(3)18(20)25;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;;;;/h7-10,17-20H,6,11-16H2,1-5H3;4-7,12-15H,8-11H2,1-3H3;4-5,10-12H,6-9H2,1-3H3;2-3,8-9,18H,4-7H2,1H3;4*1H4
• InChIKey: SJBCRMPBMNGCPH-UHFFFAOYSA-N
• XLogP: 17.76
• TPSA: 271.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1822.87
LogP ≤ 5	17.76
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;propan-2-yl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 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;propan-2-yl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate (CID 163962858) is 8'-bromo-3'-methylspiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-2'-one;methane;propan-2-yl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 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;propan-2-yl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 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;propan-2-yl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate is C.C.C.C.CC(C)OC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(F)nc4)cc3c12.CC(C)OC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c12.CC(C)OC(=O)N1CCC2(CC1)C(=O)N(C)c1cnc3ccc(Br)cc3c12.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;methane;propan-2-yl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate?

The InChIKey is SJBCRMPBMNGCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O4.C25H25FN4O3.C20H22BrN3O3.C16H16BrN3O.4CH4/c1-20(2)39-29(37)35-14-11-30(12-15-35)27-23-17-21(7-9-24(23)31-19-25(27)34(5)28(30)36)22-8-10-26(32-18-22)38-16-6-13-33(3)4;1-15(2)33-24(32)30-10-8-25(9-11-30)22-18-12-16(17-5-7-21(26)28-13-17)4-6-19(18)27-14-20(22)29(3)23(25)31;1-12(2)27-19(26)24-8-6-20(7-9-24)17-14-10-13(21)4-5-15(14)22-11-16(17)23(3)18(20)25;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;;;;/h7-10,17-20H,6,11-16H2,1-5H3;4-7,12-15H,8-11H2,1-3H3;4-5,10-12H,6-9H2,1-3H3;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;propan-2-yl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 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;propan-2-yl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate has a molecular weight of 1822.87 g/mol, XLogP of 17.76, 10 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;propan-2-yl 8'-bromo-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;propan-2-yl 8'-(6-fluoro-3-pyridinyl)-3'-methyl-2'-oxospiro[piperidine-4,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate is sourced from PubChem (CID 163962858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).