[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride

C79H83Cl3F4N8O4S — CID 161367427

About [5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride

[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride (PubChem CID 161367427) has the molecular formula C79H83Cl3F4N8O4S and a molecular weight of 1423.00 g/mol. Its IUPAC name is [5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride.

Molecular Properties

• Compound Name: [5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride
• PubChem CID: 161367427
• Molecular Formula: C79H83Cl3F4N8O4S
• Molecular Weight: 1423.00 g/mol
• Exact Mass: 1420.53
• IUPAC Name: [5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride
• SMILES: CCn1c(C)c(C2CC3(CC(NC(=O)c4ccc5ccccc5n4)C3)C2)c2cc(F)ccc21.CCn1c(C)c(C2CC3(CC(NS(=O)(=O)c4ccc(F)cc4)C3)C2)c2cc(F)ccc21.CCn1c(C)c(C2CC3CC2CN3C(=O)c2ccc3ccccc3n2)c2cc(F)ccc21.Cl.Cl.Cl
• InChI: InChI=1S/C28H28FN3O.C27H26FN3O.C24H26F2N2O2S.3ClH/c1-3-32-17(2)26(22-12-20(29)9-11-25(22)32)19-13-28(14-19)15-21(16-28)30-27(33)24-10-8-18-6-4-5-7-23(18)31-24;1-3-30-16(2)26(22-13-19(28)9-11-25(22)30)21-14-20-12-18(21)15-31(20)27(32)24-10-8-17-6-4-5-7-23(17)29-24;1-3-28-15(2)23(21-10-18(26)6-9-22(21)28)16-11-24(12-16)13-19(14-24)27-31(29,30)20-7-4-17(25)5-8-20;;;/h4-12,19,21H,3,13-16H2,1-2H3,(H,30,33);4-11,13,18,20-21H,3,12,14-15H2,1-2H3;4-10,16,19,27H,3,11-14H2,1-2H3;3*1H
• InChIKey: MFXAVOLIZJSDAM-UHFFFAOYSA-N
• XLogP: 18.31
• TPSA: 136.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1423.00
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride?

The IUPAC name of [5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride (CID 161367427) is [5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride.

What is the SMILES notation for [5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride?

The canonical SMILES for [5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride is CCn1c(C)c(C2CC3(CC(NC(=O)c4ccc5ccccc5n4)C3)C2)c2cc(F)ccc21.CCn1c(C)c(C2CC3(CC(NS(=O)(=O)c4ccc(F)cc4)C3)C2)c2cc(F)ccc21.CCn1c(C)c(C2CC3CC2CN3C(=O)c2ccc3ccccc3n2)c2cc(F)ccc21.Cl.Cl.Cl.

What is the InChIKey of [5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride?

The InChIKey is MFXAVOLIZJSDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O.C27H26FN3O.C24H26F2N2O2S.3ClH/c1-3-32-17(2)26(22-12-20(29)9-11-25(22)32)19-13-28(14-19)15-21(16-28)30-27(33)24-10-8-18-6-4-5-7-23(18)31-24;1-3-30-16(2)26(22-13-19(28)9-11-25(22)30)21-14-20-12-18(21)15-31(20)27(32)24-10-8-17-6-4-5-7-23(17)29-24;1-3-28-15(2)23(21-10-18(26)6-9-22(21)28)16-11-24(12-16)13-19(14-24)27-31(29,30)20-7-4-17(25)5-8-20;;;/h4-12,19,21H,3,13-16H2,1-2H3,(H,30,33);4-11,13,18,20-21H,3,12,14-15H2,1-2H3;4-10,16,19,27H,3,11-14H2,1-2H3;3*1H.

What are the key properties of [5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride?

[5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride has a molecular weight of 1423.00 g/mol, XLogP of 18.31, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1-ethyl-5-fluoro-2-methylindol-3-yl)-2-azabicyclo[2.2.1]heptan-2-yl]-quinolin-2-ylmethanone;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]-4-fluorobenzenesulfonamide;N-[6-(1-ethyl-5-fluoro-2-methylindol-3-yl)spiro[3.3]heptan-2-yl]quinoline-2-carboxamide;trihydrochloride is sourced from PubChem (CID 161367427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).