1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one

C134H175F6N13O7 — CID 161139836

About 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one (PubChem CID 161139836) has the molecular formula C134H175F6N13O7 and a molecular weight of 2193.95 g/mol. Its IUPAC name is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one.

Molecular Properties

• Compound Name: 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one
• PubChem CID: 161139836
• Molecular Formula: C134H175F6N13O7
• Molecular Weight: 2193.95 g/mol
• Exact Mass: 2192.36
• IUPAC Name: 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one
• SMILES: CC(C)C(CC(=O)N1CCCC2(C)CCCCC12)c1c[nH]c2cccc(F)c12.CC(C)C(CC(=O)N1CCCC2CCCCC21)c1c[nH]c2cccc(F)c12.CC(CC(=O)N1CCCC2(C)CCCCC12)c1c[nH]c2cccc(F)c12.CC(CC(=O)N1CCCC2(C)CCCCC12)c1cn(C)c2ccccc12.O=C(CC(O)(c1c[nH]c2ccccc12)C(F)(F)F)N1CCCC2CCCCC21.[C-]#[N+]C(CC(=O)N1CCCC2CCCCC21)c1c[nH]c2ccccc12
• InChI: InChI=1S/C24H33FN2O.C23H31FN2O.C23H32N2O.C22H29FN2O.C21H25F3N2O2.C21H25N3O/c1-16(2)17(18-15-26-20-9-6-8-19(25)23(18)20)14-22(28)27-13-7-12-24(3)11-5-4-10-21(24)27;1-15(2)17(18-14-25-20-10-5-9-19(24)23(18)20)13-22(27)26-12-6-8-16-7-3-4-11-21(16)26;1-17(19-16-24(3)20-10-5-4-9-18(19)20)15-22(26)25-14-8-13-23(2)12-7-6-11-21(23)25;1-15(16-14-24-18-8-5-7-17(23)21(16)18)13-20(26)25-12-6-11-22(2)10-4-3-9-19(22)25;22-21(23,24)20(28,16-13-25-17-9-3-2-8-15(16)17)12-19(27)26-11-5-7-14-6-1-4-10-18(14)26;1-22-19(17-14-23-18-10-4-3-9-16(17)18)13-21(25)24-12-6-8-15-7-2-5-11-20(15)24/h6,8-9,15-17,21,26H,4-5,7,10-14H2,1-3H3;5,9-10,14-17,21,25H,3-4,6-8,11-13H2,1-2H3;4-5,9-10,16-17,21H,6-8,11-15H2,1-3H3;5,7-8,14-15,19,24H,3-4,6,9-13H2,1-2H3;2-3,8-9,13-14,18,25,28H,1,4-7,10-12H2;3-4,9-10,14-15,19-20,23H,2,5-8,11-13H2
• InChIKey: UNHDKCRLTSVZBI-UHFFFAOYSA-N
• XLogP: 31.43
• TPSA: 230.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2193.95
LogP ≤ 5	31.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one?

The IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one (CID 161139836) is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one.

What is the SMILES notation for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one?

The canonical SMILES for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one is CC(C)C(CC(=O)N1CCCC2(C)CCCCC12)c1c[nH]c2cccc(F)c12.CC(C)C(CC(=O)N1CCCC2CCCCC21)c1c[nH]c2cccc(F)c12.CC(CC(=O)N1CCCC2(C)CCCCC12)c1c[nH]c2cccc(F)c12.CC(CC(=O)N1CCCC2(C)CCCCC12)c1cn(C)c2ccccc12.O=C(CC(O)(c1c[nH]c2ccccc12)C(F)(F)F)N1CCCC2CCCCC21.[C-]#[N+]C(CC(=O)N1CCCC2CCCCC21)c1c[nH]c2ccccc12.

What is the InChIKey of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one?

The InChIKey is UNHDKCRLTSVZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O.C23H31FN2O.C23H32N2O.C22H29FN2O.C21H25F3N2O2.C21H25N3O/c1-16(2)17(18-15-26-20-9-6-8-19(25)23(18)20)14-22(28)27-13-7-12-24(3)11-5-4-10-21(24)27;1-15(2)17(18-14-25-20-10-5-9-19(24)23(18)20)13-22(27)26-12-6-8-16-7-3-4-11-21(16)26;1-17(19-16-24(3)20-10-5-4-9-18(19)20)15-22(26)25-14-8-13-23(2)12-7-6-11-21(23)25;1-15(16-14-24-18-8-5-7-17(23)21(16)18)13-20(26)25-12-6-11-22(2)10-4-3-9-19(22)25;22-21(23,24)20(28,16-13-25-17-9-3-2-8-15(16)17)12-19(27)26-11-5-7-14-6-1-4-10-18(14)26;1-22-19(17-14-23-18-10-4-3-9-16(17)18)13-21(25)24-12-6-8-15-7-2-5-11-20(15)24/h6,8-9,15-17,21,26H,4-5,7,10-14H2,1-3H3;5,9-10,14-17,21,25H,3-4,6-8,11-13H2,1-2H3;4-5,9-10,16-17,21H,6-8,11-15H2,1-3H3;5,7-8,14-15,19,24H,3-4,6,9-13H2,1-2H3;2-3,8-9,13-14,18,25,28H,1,4-7,10-12H2;3-4,9-10,14-15,19-20,23H,2,5-8,11-13H2.

What are the key properties of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one?

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one has a molecular weight of 2193.95 g/mol, XLogP of 31.43, 20 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-3-isocyanopropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(1-methylindol-3-yl)butan-1-one is sourced from PubChem (CID 161139836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).