1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one

C121H155FN12O7 — CID 162144209

About 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 162144209) has the molecular formula C121H155FN12O7 and a molecular weight of 1908.65 g/mol. Its IUPAC name is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one
• PubChem CID: 162144209
• Molecular Formula: C121H155FN12O7
• Molecular Weight: 1908.65 g/mol
• Exact Mass: 1907.21
• IUPAC Name: 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one
• SMILES: CC1CCN(C(=O)CCc2c[nH]c3ccccc23)C2CCCCC12.O=C(/C=C/c1c[nH]c2ccccc12)N1CCCC2CCCCC21.O=C(CCCc1c[nH]c2ccccc12)N1CCCC2CCCCC21.O=C(CCc1c[nH]c2ccc(CO)cc12)N1CCCC2CCCCC21.O=C(Cc1c[nH]c2ccc(F)cc12)N1CCCC2CCCCC21.O=C(Cc1c[nH]c2ccccc12)N1CCCC2CCCCC21
• InChI: InChI=1S/C21H28N2O2.2C21H28N2O.C20H24N2O.C19H23FN2O.C19H24N2O/c24-14-15-7-9-19-18(12-15)17(13-22-19)8-10-21(25)23-11-3-5-16-4-1-2-6-20(16)23;1-15-12-13-23(20-9-5-3-6-17(15)20)21(24)11-10-16-14-22-19-8-4-2-7-18(16)19;24-21(23-14-6-9-16-7-1-4-12-20(16)23)13-5-8-17-15-22-19-11-3-2-10-18(17)19;23-20(22-13-5-7-15-6-1-4-10-19(15)22)12-11-16-14-21-18-9-3-2-8-17(16)18;20-15-7-8-17-16(11-15)14(12-21-17)10-19(23)22-9-3-5-13-4-1-2-6-18(13)22;22-19(12-15-13-20-17-9-3-2-8-16(15)17)21-11-5-7-14-6-1-4-10-18(14)21/h7,9,12-13,16,20,22,24H,1-6,8,10-11,14H2;2,4,7-8,14-15,17,20,22H,3,5-6,9-13H2,1H3;2-3,10-11,15-16,20,22H,1,4-9,12-14H2;2-3,8-9,11-12,14-15,19,21H,1,4-7,10,13H2;7-8,11-13,18,21H,1-6,9-10H2;2-3,8-9,13-14,18,20H,1,4-7,10-12H2/b;;;12-11+
• InChIKey: ZKIIBFSDZNIOBV-ZNLAWLDJSA-N
• XLogP: 25.26
• TPSA: 236.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1908.65
LogP ≤ 5	25.26
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', '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)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one?

The IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one (CID 162144209) is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one.

What is the SMILES notation for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one?

The canonical SMILES for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one is CC1CCN(C(=O)CCc2c[nH]c3ccccc23)C2CCCCC12.O=C(/C=C/c1c[nH]c2ccccc12)N1CCCC2CCCCC21.O=C(CCCc1c[nH]c2ccccc12)N1CCCC2CCCCC21.O=C(CCc1c[nH]c2ccc(CO)cc12)N1CCCC2CCCCC21.O=C(Cc1c[nH]c2ccc(F)cc12)N1CCCC2CCCCC21.O=C(Cc1c[nH]c2ccccc12)N1CCCC2CCCCC21.

What is the InChIKey of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one?

The InChIKey is ZKIIBFSDZNIOBV-ZNLAWLDJSA-N. The full InChI is InChI=1S/C21H28N2O2.2C21H28N2O.C20H24N2O.C19H23FN2O.C19H24N2O/c24-14-15-7-9-19-18(12-15)17(13-22-19)8-10-21(25)23-11-3-5-16-4-1-2-6-20(16)23;1-15-12-13-23(20-9-5-3-6-17(15)20)21(24)11-10-16-14-22-19-8-4-2-7-18(16)19;24-21(23-14-6-9-16-7-1-4-12-20(16)23)13-5-8-17-15-22-19-11-3-2-10-18(17)19;23-20(22-13-5-7-15-6-1-4-10-19(15)22)12-11-16-14-21-18-9-3-2-8-17(16)18;20-15-7-8-17-16(11-15)14(12-21-17)10-19(23)22-9-3-5-13-4-1-2-6-18(13)22;22-19(12-15-13-20-17-9-3-2-8-16(15)17)21-11-5-7-14-6-1-4-10-18(14)21/h7,9,12-13,16,20,22,24H,1-6,8,10-11,14H2;2,4,7-8,14-15,17,20,22H,3,5-6,9-13H2,1H3;2-3,10-11,15-16,20,22H,1,4-9,12-14H2;2-3,8-9,11-12,14-15,19,21H,1,4-7,10,13H2;7-8,11-13,18,21H,1-6,9-10H2;2-3,8-9,13-14,18,20H,1,4-7,10-12H2/b;;;12-11+;;.

What are the key properties of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one?

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 1908.65 g/mol, XLogP of 25.26, 17 rotatable bonds, 7 hydrogen bond donors, and 7 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)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[5-(hydroxymethyl)-1H-indol-3-yl]propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-(1H-indol-3-yl)butan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)ethanone;(E)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one;3-(1H-indol-3-yl)-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 162144209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).