(6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide)

C188H257N35O21 — CID 157399266

About (6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide)

(6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide) (PubChem CID 157399266) has the molecular formula C188H257N35O21 and a molecular weight of 3343.35 g/mol. Its IUPAC name is (6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide).

Molecular Properties

• Compound Name: (6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide)
• PubChem CID: 157399266
• Molecular Formula: C188H257N35O21
• Molecular Weight: 3343.35 g/mol
• Exact Mass: 3341.01
• IUPAC Name: (6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide)
• SMILES: C=CCN1C[C@H](C(=O)N(CCCNC(C)=O)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.C=CCN1C[C@H](C(=O)N(CCCNCC(C)=O)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.C=CCN1C[C@H](C(=O)N(CCCNCC(C)=O)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.C=CCN1C[C@H](C(=O)N(CCCNCC(C)=O)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.C=CCN1C[C@H](C(=O)N(CCCNCC(C)=O)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.C=CCN1C[C@H](C(=O)N(CCCNCC(C)=O)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.C=CCN1C[C@H](C(=O)N(CCCNCC(C)=O)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
• InChI: InChI=1S/6C27H37N5O3.C26H35N5O3/c6*1-4-11-31-17-20(26(34)32(27(35)29-5-2)12-7-10-28-15-18(3)33)13-22-21-8-6-9-23-25(21)19(16-30-23)14-24(22)31;1-4-11-30-16-19(25(33)31(26(34)27-5-2)12-7-10-28-17(3)32)13-21-20-8-6-9-22-24(20)18(15-29-22)14-23(21)30/h6*4,6,8-9,16,20,22,24,28,30H,1,5,7,10-15,17H2,2-3H3,(H,29,35);4,6,8-9,15,19,21,23,29H,1,5,7,10-14,16H2,2-3H3,(H,27,34)(H,28,32)/t6*20-,22-,24-;19-,21-,23-/m1111111/s1
• InChIKey: BMYHFUGEOKISHP-OLRGIMCWSA-N
• XLogP: 19.63
• TPSA: 682.78 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 34
• Rotatable Bonds: 68
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3343.35
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of (6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide)?

The IUPAC name of (6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide) (CID 157399266) is (6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide).

What is the SMILES notation for (6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide)?

The canonical SMILES for (6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide) is C=CCN1C[C@H](C(=O)N(CCCNC(C)=O)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.C=CCN1C[C@H](C(=O)N(CCCNCC(C)=O)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.C=CCN1C[C@H](C(=O)N(CCCNCC(C)=O)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.C=CCN1C[C@H](C(=O)N(CCCNCC(C)=O)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.C=CCN1C[C@H](C(=O)N(CCCNCC(C)=O)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.C=CCN1C[C@H](C(=O)N(CCCNCC(C)=O)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.C=CCN1C[C@H](C(=O)N(CCCNCC(C)=O)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.

What is the InChIKey of (6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide)?

The InChIKey is BMYHFUGEOKISHP-OLRGIMCWSA-N. The full InChI is InChI=1S/6C27H37N5O3.C26H35N5O3/c6*1-4-11-31-17-20(26(34)32(27(35)29-5-2)12-7-10-28-15-18(3)33)13-22-21-8-6-9-23-25(21)19(16-30-23)14-24(22)31;1-4-11-30-16-19(25(33)31(26(34)27-5-2)12-7-10-28-17(3)32)13-21-20-8-6-9-22-24(20)18(15-29-22)14-23(21)30/h6*4,6,8-9,16,20,22,24,28,30H,1,5,7,10-15,17H2,2-3H3,(H,29,35);4,6,8-9,15,19,21,23,29H,1,5,7,10-14,16H2,2-3H3,(H,27,34)(H,28,32)/t6*20-,22-,24-;19-,21-,23-/m1111111/s1.

What are the key properties of (6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide)?

(6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide) has a molecular weight of 3343.35 g/mol, XLogP of 19.63, 68 rotatable bonds, 21 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (6aR,9R,10aR)-N-(3-acetamidopropyl)-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexakis((6aR,9R,10aR)-N-(ethylcarbamoyl)-N-[3-(2-oxopropylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide) is sourced from PubChem (CID 157399266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).