1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-fluoro-2-methyl-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-indol-1-ylpropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-2-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1-methylindol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one

C123H161FN12O7 — CID 157277976

About 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-fluoro-2-methyl-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-indol-1-ylpropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-2-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1-methylindol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-fluoro-2-methyl-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-indol-1-ylpropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-2-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1-methylindol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one (PubChem CID 157277976) has the molecular formula C123H161FN12O7 and a molecular weight of 1938.72 g/mol. Its IUPAC name is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-fluoro-2-methyl-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-indol-1-ylpropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-2-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1-methylindol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-fluoro-2-methyl-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-indol-1-ylpropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-2-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1-methylindol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one
• PubChem CID: 157277976
• Molecular Formula: C123H161FN12O7
• Molecular Weight: 1938.72 g/mol
• Exact Mass: 1937.26
• IUPAC Name: 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-fluoro-2-methyl-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-indol-1-ylpropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-2-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1-methylindol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one
• SMILES: Cc1[nH]c2ccc(F)cc2c1CCC(=O)N1CCCC2CCCCC21.Cc1[nH]c2ccccc2c1CCC(=O)N1CCCC2CCCCC21.Cn1cc(CCC(=O)N2CCCC3CCCCC32)c2ccccc21.O=C(CCc1c[nH]c2ccc(O)cc12)N1CCCC2CCCCC21.O=C(CCc1cc2ccccc2[nH]1)N1CCCC2CCCCC21.O=C(CCn1ccc2ccccc21)N1CCCC2CCCCC21
• InChI: InChI=1S/C21H27FN2O.2C21H28N2O.C20H26N2O2.2C20H26N2O/c1-14-17(18-13-16(22)8-10-19(18)23-14)9-11-21(25)24-12-4-6-15-5-2-3-7-20(15)24;1-15-17(18-9-3-4-10-19(18)22-15)12-13-21(24)23-14-6-8-16-7-2-5-11-20(16)23;1-22-15-17(18-9-3-5-11-20(18)22)12-13-21(24)23-14-6-8-16-7-2-4-10-19(16)23;23-16-8-9-18-17(12-16)15(13-21-18)7-10-20(24)22-11-3-5-14-4-1-2-6-19(14)22;23-20(22-13-5-8-16-6-2-4-10-19(16)22)12-15-21-14-11-17-7-1-3-9-18(17)21;23-20(22-13-5-8-15-6-2-4-10-19(15)22)12-11-17-14-16-7-1-3-9-18(16)21-17/h8,10,13,15,20,23H,2-7,9,11-12H2,1H3;3-4,9-10,16,20,22H,2,5-8,11-14H2,1H3;3,5,9,11,15-16,19H,2,4,6-8,10,12-14H2,1H3;8-9,12-14,19,21,23H,1-7,10-11H2;1,3,7,9,11,14,16,19H,2,4-6,8,10,12-13,15H2;1,3,7,9,14-15,19,21H,2,4-6,8,10-13H2
• InChIKey: AZIBFBNYPLALOP-UHFFFAOYSA-N
• XLogP: 26.09
• TPSA: 215.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1938.72
LogP ≤ 5	26.09
H-Bond Donors ≤ 5	5
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 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-fluoro-2-methyl-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-indol-1-ylpropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-2-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1-methylindol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one?

The IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-fluoro-2-methyl-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-indol-1-ylpropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-2-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1-methylindol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one (CID 157277976) is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-fluoro-2-methyl-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-indol-1-ylpropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-2-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1-methylindol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one.

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

The canonical SMILES for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-fluoro-2-methyl-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-indol-1-ylpropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-2-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1-methylindol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one is Cc1[nH]c2ccc(F)cc2c1CCC(=O)N1CCCC2CCCCC21.Cc1[nH]c2ccccc2c1CCC(=O)N1CCCC2CCCCC21.Cn1cc(CCC(=O)N2CCCC3CCCCC32)c2ccccc21.O=C(CCc1c[nH]c2ccc(O)cc12)N1CCCC2CCCCC21.O=C(CCc1cc2ccccc2[nH]1)N1CCCC2CCCCC21.O=C(CCn1ccc2ccccc21)N1CCCC2CCCCC21.

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

The InChIKey is AZIBFBNYPLALOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O.2C21H28N2O.C20H26N2O2.2C20H26N2O/c1-14-17(18-13-16(22)8-10-19(18)23-14)9-11-21(25)24-12-4-6-15-5-2-3-7-20(15)24;1-15-17(18-9-3-4-10-19(18)22-15)12-13-21(24)23-14-6-8-16-7-2-5-11-20(16)23;1-22-15-17(18-9-3-5-11-20(18)22)12-13-21(24)23-14-6-8-16-7-2-4-10-19(16)23;23-16-8-9-18-17(12-16)15(13-21-18)7-10-20(24)22-11-3-5-14-4-1-2-6-19(14)22;23-20(22-13-5-8-16-6-2-4-10-19(16)22)12-15-21-14-11-17-7-1-3-9-18(17)21;23-20(22-13-5-8-15-6-2-4-10-19(15)22)12-11-17-14-16-7-1-3-9-18(16)21-17/h8,10,13,15,20,23H,2-7,9,11-12H2,1H3;3-4,9-10,16,20,22H,2,5-8,11-14H2,1H3;3,5,9,11,15-16,19H,2,4,6-8,10,12-14H2,1H3;8-9,12-14,19,21,23H,1-7,10-11H2;1,3,7,9,11,14,16,19H,2,4-6,8,10,12-13,15H2;1,3,7,9,14-15,19,21H,2,4-6,8,10-13H2.

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

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-fluoro-2-methyl-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-indol-1-ylpropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-2-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1-methylindol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one has a molecular weight of 1938.72 g/mol, XLogP of 26.09, 18 rotatable bonds, 5 hydrogen bond donors, and 9 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-(5-fluoro-2-methyl-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-indol-1-ylpropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-2-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1-methylindol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 157277976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).