ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid)

C136H164N8O25 — CID 159777539

About ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid)

ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid) (PubChem CID 159777539) has the molecular formula C136H164N8O25 and a molecular weight of 2310.84 g/mol. Its IUPAC name is ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid).

Molecular Properties

• Compound Name: ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid)
• PubChem CID: 159777539
• Molecular Formula: C136H164N8O25
• Molecular Weight: 2310.84 g/mol
• Exact Mass: 2309.18
• IUPAC Name: ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid)
• SMILES: CCOC(=O)c1cc2n(c1)CCc1cc(OC)c(OC(C)C)cc1-2.CCOC(=O)c1cc2n(c1C=C(C)C)CCc1cc(OC)c(OC(C)C)cc1-2.CCOC(=O)c1cc2n(c1C=O)CCc1cc(OC)c(OC(C)C)cc1-2.COc1cc2c(cc1OC(C)C)-c1cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c(CC(C)C)n1CC2.COc1cc2c(cc1OC(C)C)-c1cc(C(=O)O)c(C=C(C)C)n1CC2.COc1cc2c(cc1OC(C)C)-c1cc(C(=O)O)c(C=C(C)C)n1CC2
• InChI: InChI=1S/C32H39N3O4.C23H29NO4.2C21H25NO4.C20H23NO5.C19H23NO4/c1-19(2)12-28-26(32(37)34-23(18-36)13-22-17-33-27-9-7-6-8-24(22)27)15-29-25-16-31(39-20(3)4)30(38-5)14-21(25)10-11-35(28)29;1-7-27-23(25)18-12-20-17-13-22(28-15(4)5)21(26-6)11-16(17)8-9-24(20)19(18)10-14(2)3;2*1-12(2)8-17-16(21(23)24)10-18-15-11-20(26-13(3)4)19(25-5)9-14(15)6-7-22(17)18;1-5-25-20(23)15-9-16-14-10-19(26-12(2)3)18(24-4)8-13(14)6-7-21(16)17(15)11-22;1-5-23-19(21)14-8-16-15-10-18(24-12(2)3)17(22-4)9-13(15)6-7-20(16)11-14/h6-9,14-17,19-20,23,33,36H,10-13,18H2,1-5H3,(H,34,37);10-13,15H,7-9H2,1-6H3;2*8-11,13H,6-7H2,1-5H3,(H,23,24);8-12H,5-7H2,1-4H3;8-12H,5-7H2,1-4H3/t23-;;;;;/m1...../s1
• InChIKey: NGYATHSQGJBWCI-LRBLJGQSSA-N
• XLogP: 27.06
• TPSA: 376.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 37
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2310.84
LogP ≤ 5	27.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid)?

The IUPAC name of ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid) (CID 159777539) is ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid).

What is the SMILES notation for ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid)?

The canonical SMILES for ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid) is CCOC(=O)c1cc2n(c1)CCc1cc(OC)c(OC(C)C)cc1-2.CCOC(=O)c1cc2n(c1C=C(C)C)CCc1cc(OC)c(OC(C)C)cc1-2.CCOC(=O)c1cc2n(c1C=O)CCc1cc(OC)c(OC(C)C)cc1-2.COc1cc2c(cc1OC(C)C)-c1cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c(CC(C)C)n1CC2.COc1cc2c(cc1OC(C)C)-c1cc(C(=O)O)c(C=C(C)C)n1CC2.COc1cc2c(cc1OC(C)C)-c1cc(C(=O)O)c(C=C(C)C)n1CC2.

What is the InChIKey of ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid)?

The InChIKey is NGYATHSQGJBWCI-LRBLJGQSSA-N. The full InChI is InChI=1S/C32H39N3O4.C23H29NO4.2C21H25NO4.C20H23NO5.C19H23NO4/c1-19(2)12-28-26(32(37)34-23(18-36)13-22-17-33-27-9-7-6-8-24(22)27)15-29-25-16-31(39-20(3)4)30(38-5)14-21(25)10-11-35(28)29;1-7-27-23(25)18-12-20-17-13-22(28-15(4)5)21(26-6)11-16(17)8-9-24(20)19(18)10-14(2)3;2*1-12(2)8-17-16(21(23)24)10-18-15-11-20(26-13(3)4)19(25-5)9-14(15)6-7-22(17)18;1-5-25-20(23)15-9-16-14-10-19(26-12(2)3)18(24-4)8-13(14)6-7-21(16)17(15)11-22;1-5-23-19(21)14-8-16-15-10-18(24-12(2)3)17(22-4)9-13(15)6-7-20(16)11-14/h6-9,14-17,19-20,23,33,36H,10-13,18H2,1-5H3,(H,34,37);10-13,15H,7-9H2,1-6H3;2*8-11,13H,6-7H2,1-5H3,(H,23,24);8-12H,5-7H2,1-4H3;8-12H,5-7H2,1-4H3/t23-;;;;;/m1...../s1.

What are the key properties of ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid)?

ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid) has a molecular weight of 2310.84 g/mol, XLogP of 27.06, 37 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-formyl-8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8-methoxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-3-(2-methylpropyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;bis(8-methoxy-3-(2-methylprop-1-enyl)-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid) is sourced from PubChem (CID 159777539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).