5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate

C60H64N6O7 — CID 91464237

About 5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate

5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate (PubChem CID 91464237) has the molecular formula C60H64N6O7 and a molecular weight of 981.21 g/mol. Its IUPAC name is 5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate.

Molecular Properties

• Compound Name: 5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
• PubChem CID: 91464237
• Molecular Formula: C60H64N6O7
• Molecular Weight: 981.21 g/mol
• Exact Mass: 980.48
• IUPAC Name: 5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
• SMILES: CCOC(=O)c1c(-c2cccc3c2ccn3Cc2cccnc2)c(C)n2c1-c1cc(OC)c(OC)cc1CC2.COc1cc2c(cc1OC)-c1c(C)c(-c3ccc4c(c3)CCN4C(=O)NC(C)C)c(C)n1CC2
• InChI: InChI=1S/C32H31N3O4.C28H33N3O3/c1-5-39-32(36)30-29(20(2)35-15-11-22-16-27(37-3)28(38-4)17-25(22)31(30)35)24-9-6-10-26-23(24)12-14-34(26)19-21-8-7-13-33-18-21;1-16(2)29-28(32)31-12-10-20-13-21(7-8-23(20)31)26-17(3)27-22-15-25(34-6)24(33-5)14-19(22)9-11-30(27)18(26)4/h6-10,12-14,16-18H,5,11,15,19H2,1-4H3;7-8,13-16H,9-12H2,1-6H3,(H,29,32)
• InChIKey: YOGXYHHYSOHENG-UHFFFAOYSA-N
• XLogP: 11.77
• TPSA: 123.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	981.21
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate?

The IUPAC name of 5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate (CID 91464237) is 5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate.

What is the SMILES notation for 5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate?

The canonical SMILES for 5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate is CCOC(=O)c1c(-c2cccc3c2ccn3Cc2cccnc2)c(C)n2c1-c1cc(OC)c(OC)cc1CC2.COc1cc2c(cc1OC)-c1c(C)c(-c3ccc4c(c3)CCN4C(=O)NC(C)C)c(C)n1CC2.

What is the InChIKey of 5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate?

The InChIKey is YOGXYHHYSOHENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O4.C28H33N3O3/c1-5-39-32(36)30-29(20(2)35-15-11-22-16-27(37-3)28(38-4)17-25(22)31(30)35)24-9-6-10-26-23(24)12-14-34(26)19-21-8-7-13-33-18-21;1-16(2)29-28(32)31-12-10-20-13-21(7-8-23(20)31)26-17(3)27-22-15-25(34-6)24(33-5)14-19(22)9-11-30(27)18(26)4/h6-10,12-14,16-18H,5,11,15,19H2,1-4H3;7-8,13-16H,9-12H2,1-6H3,(H,29,32).

What are the key properties of 5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate?

5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate has a molecular weight of 981.21 g/mol, XLogP of 11.77, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8,9-dimethoxy-1,3-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;ethyl 8,9-dimethoxy-3-methyl-2-[1-(pyridin-3-ylmethyl)indol-4-yl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate is sourced from PubChem (CID 91464237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).