1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone)

C123H156Cl2N12O20 — CID 157222646

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone)

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone) (PubChem CID 157222646) has the molecular formula C123H156Cl2N12O20 and a molecular weight of 2193.57 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone).

Molecular Properties

• Compound Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone)
• PubChem CID: 157222646
• Molecular Formula: C123H156Cl2N12O20
• Molecular Weight: 2193.57 g/mol
• Exact Mass: 2191.09
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone)
• SMILES: C1CCC2NCCCC2C1.CC(=O)Oc1cn(C(C)=O)c2ccccc12.CC(=O)n1cc(O)c2ccccc21.CC(=O)n1cc(O)c2ccccc21.CC(=O)n1cc(OC(C)C(=O)N2CCCC3CCCCC32)c2ccccc21.CC(Cl)C(=O)N1CCCC2CCCCC21.CC(Cl)C(=O)N1CCCC2CCCCC21.CC(Oc1c[nH]c2ccccc12)C(=O)N1CCCC2CCCCC21.Nc1ccccc1C(=O)O.O=C(O)CNc1ccccc1C(=O)O
• InChI: InChI=1S/C22H28N2O3.C20H26N2O2.2C12H20ClNO.C12H11NO3.2C10H9NO2.C9H9NO4.C9H17N.C7H7NO2/c1-15(22(26)23-13-7-9-17-8-3-5-11-19(17)23)27-21-14-24(16(2)25)20-12-6-4-10-18(20)21;1-14(24-19-13-21-17-10-4-3-9-16(17)19)20(23)22-12-6-8-15-7-2-5-11-18(15)22;2*1-9(13)12(15)14-8-4-6-10-5-2-3-7-11(10)14;1-8(14)13-7-12(16-9(2)15)10-5-3-4-6-11(10)13;2*1-7(12)11-6-10(13)8-4-2-3-5-9(8)11;11-8(12)5-10-7-4-2-1-3-6(7)9(13)14;1-2-6-9-8(4-1)5-3-7-10-9;8-6-4-2-1-3-5(6)7(9)10/h4,6,10,12,14-15,17,19H,3,5,7-9,11,13H2,1-2H3;3-4,9-10,13-15,18,21H,2,5-8,11-12H2,1H3;2*9-11H,2-8H2,1H3;3-7H,1-2H3;2*2-6,13H,1H3;1-4,10H,5H2,(H,11,12)(H,13,14);8-10H,1-7H2;1-4H,8H2,(H,9,10)
• InChIKey: ATEDEDLPLPXMFP-UHFFFAOYSA-N
• XLogP: 23.97
• TPSA: 432.23 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.57
LogP ≤ 5	23.97
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone)?

The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone) (CID 157222646) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone).

What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone)?

The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone) is C1CCC2NCCCC2C1.CC(=O)Oc1cn(C(C)=O)c2ccccc12.CC(=O)n1cc(O)c2ccccc21.CC(=O)n1cc(O)c2ccccc21.CC(=O)n1cc(OC(C)C(=O)N2CCCC3CCCCC32)c2ccccc21.CC(Cl)C(=O)N1CCCC2CCCCC21.CC(Cl)C(=O)N1CCCC2CCCCC21.CC(Oc1c[nH]c2ccccc12)C(=O)N1CCCC2CCCCC21.Nc1ccccc1C(=O)O.O=C(O)CNc1ccccc1C(=O)O.

What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone)?

The InChIKey is ATEDEDLPLPXMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3.C20H26N2O2.2C12H20ClNO.C12H11NO3.2C10H9NO2.C9H9NO4.C9H17N.C7H7NO2/c1-15(22(26)23-13-7-9-17-8-3-5-11-19(17)23)27-21-14-24(16(2)25)20-12-6-4-10-18(20)21;1-14(24-19-13-21-17-10-4-3-9-16(17)19)20(23)22-12-6-8-15-7-2-5-11-18(15)22;2*1-9(13)12(15)14-8-4-6-10-5-2-3-7-11(10)14;1-8(14)13-7-12(16-9(2)15)10-5-3-4-6-11(10)13;2*1-7(12)11-6-10(13)8-4-2-3-5-9(8)11;11-8(12)5-10-7-4-2-1-3-6(7)9(13)14;1-2-6-9-8(4-1)5-3-7-10-9;8-6-4-2-1-3-5(6)7(9)10/h4,6,10,12,14-15,17,19H,3,5,7-9,11,13H2,1-2H3;3-4,9-10,13-15,18,21H,2,5-8,11-12H2,1H3;2*9-11H,2-8H2,1H3;3-7H,1-2H3;2*2-6,13H,1H3;1-4,10H,5H2,(H,11,12)(H,13,14);8-10H,1-7H2;1-4H,8H2,(H,9,10).

What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone)?

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone) has a molecular weight of 2193.57 g/mol, XLogP of 23.97, 14 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-acetylindol-3-yl)oxypropan-1-one;bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropropan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1H-indol-3-yloxy)propan-1-one;(1-acetylindol-3-yl) acetate;2-aminobenzoic acid;2-(carboxymethylamino)benzoic acid;bis(1-(3-hydroxyindol-1-yl)ethanone) is sourced from PubChem (CID 157222646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).