N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)

C145H195N17O7S4 — CID 161112142

About N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)

N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one) (PubChem CID 161112142) has the molecular formula C145H195N17O7S4 and a molecular weight of 2416.53 g/mol. Its IUPAC name is N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one).

Molecular Properties

• Compound Name: N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)
• PubChem CID: 161112142
• Molecular Formula: C145H195N17O7S4
• Molecular Weight: 2416.53 g/mol
• Exact Mass: 2414.43
• IUPAC Name: N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)
• SMILES: CCCN1C[C@H](CNC(C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CCCN1C[C@H](CNC(C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CCCN1C[C@H](CNC(C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@]21C.CCCN1C[C@H](CSCC(C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CCCN1C[C@H](CSCC(C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CCCN1C[C@H](CSCC(C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CCCN1C[C@H](CSCC(C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
• InChI: InChI=1S/C21H29N3O.4C21H28N2OS.2C20H27N3O/c1-4-8-24-13-15(11-22-14(2)25)9-18-17-6-5-7-19-20(17)16(12-23-19)10-21(18,24)3;4*1-3-7-23-11-15(13-25-12-14(2)24)8-18-17-5-4-6-19-21(17)16(10-22-19)9-20(18)23;2*1-3-7-23-12-14(10-21-13(2)24)8-17-16-5-4-6-18-20(16)15(11-22-18)9-19(17)23/h5-7,12,15,18,23H,4,8-11,13H2,1-3H3,(H,22,25);4*4-6,10,15,18,20,22H,3,7-9,11-13H2,1-2H3;2*4-6,11,14,17,19,22H,3,7-10,12H2,1-2H3,(H,21,24)/t15-,18+,21+;4*15-,18-,20-;2*14-,17+,19+/m0111100/s1
• InChIKey: UJVHMNCOZKGTMO-CCIXTJTESA-N
• XLogP: 26.44
• TPSA: 288.79 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 36
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2416.53
LogP ≤ 5	26.44
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)?

The IUPAC name of N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one) (CID 161112142) is N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one).

What is the SMILES notation for N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)?

The canonical SMILES for N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one) is CCCN1C[C@H](CNC(C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CCCN1C[C@H](CNC(C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CCCN1C[C@H](CNC(C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@]21C.CCCN1C[C@H](CSCC(C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CCCN1C[C@H](CSCC(C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CCCN1C[C@H](CSCC(C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CCCN1C[C@H](CSCC(C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.

What is the InChIKey of N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)?

The InChIKey is UJVHMNCOZKGTMO-CCIXTJTESA-N. The full InChI is InChI=1S/C21H29N3O.4C21H28N2OS.2C20H27N3O/c1-4-8-24-13-15(11-22-14(2)25)9-18-17-6-5-7-19-20(17)16(12-23-19)10-21(18,24)3;4*1-3-7-23-11-15(13-25-12-14(2)24)8-18-17-5-4-6-19-21(17)16(10-22-19)9-20(18)23;2*1-3-7-23-12-14(10-21-13(2)24)8-17-16-5-4-6-18-20(16)15(11-22-18)9-19(17)23/h5-7,12,15,18,23H,4,8-11,13H2,1-3H3,(H,22,25);4*4-6,10,15,18,20,22H,3,7-9,11-13H2,1-2H3;2*4-6,11,14,17,19,22H,3,7-10,12H2,1-2H3,(H,21,24)/t15-,18+,21+;4*15-,18-,20-;2*14-,17+,19+/m0111100/s1.

What are the key properties of N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one)?

N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one) has a molecular weight of 2416.53 g/mol, XLogP of 26.44, 36 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(6aR,9S,10aR)-6a-methyl-7-propyl-4,6,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]acetamide;bis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide);tetrakis(1-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]propan-2-one) is sourced from PubChem (CID 161112142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).