6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide

C122H125BrN8O22 — CID 162055686

About 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide

6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide (PubChem CID 162055686) has the molecular formula C122H125BrN8O22 and a molecular weight of 2135.28 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide.

Molecular Properties

• Compound Name: 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide
• PubChem CID: 162055686
• Molecular Formula: C122H125BrN8O22
• Molecular Weight: 2135.28 g/mol
• Exact Mass: 2132.81
• IUPAC Name: 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide
• SMILES: CCOC(=O)c1cc2n(c1)CCc1cc(OC)c(OC)cc1-2.CCOC(=O)c1cc2n(c1-c1ccccc1)CCc1cc(OC)c(OC)cc1-2.CCOC(=O)c1cc2n(c1Br)CCc1cc(OC)c(OC)cc1-2.COc1cc2c(cc1OC)-c1cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c(-c3ccccc3)n1CC2.COc1cc2c(cc1OC)-c1cc(C(=O)O)c(-c3ccccc3)n1CC2.COc1cc2c(cc1OC)C(C)=NCC2
• InChI: InChI=1S/C32H31N3O4.C23H23NO4.C21H19NO4.C17H18BrNO4.C17H19NO4.C12H15NO2/c1-38-29-15-21-12-13-35-28(25(21)17-30(29)39-2)16-26(31(35)20-8-4-3-5-9-20)32(37)34-23(19-36)14-22-18-33-27-11-7-6-10-24(22)27;1-4-28-23(25)18-13-19-17-14-21(27-3)20(26-2)12-16(17)10-11-24(19)22(18)15-8-6-5-7-9-15;1-25-18-10-14-8-9-22-17(15(14)12-19(18)26-2)11-16(21(23)24)20(22)13-6-4-3-5-7-13;1-4-23-17(20)12-8-13-11-9-15(22-3)14(21-2)7-10(11)5-6-19(13)16(12)18;1-4-22-17(19)12-7-14-13-9-16(21-3)15(20-2)8-11(13)5-6-18(14)10-12;1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h3-11,15-18,23,33,36H,12-14,19H2,1-2H3,(H,34,37);5-9,12-14H,4,10-11H2,1-3H3;3-7,10-12H,8-9H2,1-2H3,(H,23,24);7-9H,4-6H2,1-3H3;7-10H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3/t23-;;;;;/m1...../s1
• InChIKey: YZDLTDPWYUVEOR-LRBLJGQSSA-N
• XLogP: 22.52
• TPSA: 329.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2135.28
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide?

The IUPAC name of 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide (CID 162055686) is 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide.

What is the SMILES notation for 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide?

The canonical SMILES for 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide is CCOC(=O)c1cc2n(c1)CCc1cc(OC)c(OC)cc1-2.CCOC(=O)c1cc2n(c1-c1ccccc1)CCc1cc(OC)c(OC)cc1-2.CCOC(=O)c1cc2n(c1Br)CCc1cc(OC)c(OC)cc1-2.COc1cc2c(cc1OC)-c1cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c(-c3ccccc3)n1CC2.COc1cc2c(cc1OC)-c1cc(C(=O)O)c(-c3ccccc3)n1CC2.COc1cc2c(cc1OC)C(C)=NCC2.

What is the InChIKey of 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide?

The InChIKey is YZDLTDPWYUVEOR-LRBLJGQSSA-N. The full InChI is InChI=1S/C32H31N3O4.C23H23NO4.C21H19NO4.C17H18BrNO4.C17H19NO4.C12H15NO2/c1-38-29-15-21-12-13-35-28(25(21)17-30(29)39-2)16-26(31(35)20-8-4-3-5-9-20)32(37)34-23(19-36)14-22-18-33-27-11-7-6-10-24(22)27;1-4-28-23(25)18-13-19-17-14-21(27-3)20(26-2)12-16(17)10-11-24(19)22(18)15-8-6-5-7-9-15;1-25-18-10-14-8-9-22-17(15(14)12-19(18)26-2)11-16(21(23)24)20(22)13-6-4-3-5-7-13;1-4-23-17(20)12-8-13-11-9-15(22-3)14(21-2)7-10(11)5-6-19(13)16(12)18;1-4-22-17(19)12-7-14-13-9-16(21-3)15(20-2)8-11(13)5-6-18(14)10-12;1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h3-11,15-18,23,33,36H,12-14,19H2,1-2H3,(H,34,37);5-9,12-14H,4,10-11H2,1-3H3;3-7,10-12H,8-9H2,1-2H3,(H,23,24);7-9H,4-6H2,1-3H3;7-10H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3/t23-;;;;;/m1...../s1.

What are the key properties of 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide?

6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide has a molecular weight of 2135.28 g/mol, XLogP of 22.52, 27 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide is sourced from PubChem (CID 162055686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).