8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline

C33H37NO7 — CID 44817658

About 8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline

8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline (PubChem CID 44817658) has the molecular formula C33H37NO7 and a molecular weight of 559.66 g/mol. Its IUPAC name is 8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

• Compound Name: 8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
• PubChem CID: 44817658
• Molecular Formula: C33H37NO7
• Molecular Weight: 559.66 g/mol
• Exact Mass: 559.26
• IUPAC Name: 8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
• SMILES: COc1cc2c(cc1OC)-c1c(-c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(OC(C)C)c3)cn1CC2
• InChI: InChI=1S/C33H37NO7/c1-19(2)41-28-14-20(9-10-25(28)35-3)24-18-34-12-11-21-13-26(36-4)27(37-5)17-23(21)32(34)31(24)22-15-29(38-6)33(40-8)30(16-22)39-7/h9-10,13-19H,11-12H2,1-8H3
• InChIKey: TWPFQPSATPFIMD-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 69.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.66
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?

The IUPAC name of 8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline (CID 44817658) is 8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline.

What is the SMILES notation for 8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?

The canonical SMILES for 8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline is COc1cc2c(cc1OC)-c1c(-c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(OC(C)C)c3)cn1CC2.

What is the InChIKey of 8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?

The InChIKey is TWPFQPSATPFIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37NO7/c1-19(2)41-28-14-20(9-10-25(28)35-3)24-18-34-12-11-21-13-26(36-4)27(37-5)17-23(21)32(34)31(24)22-15-29(38-6)33(40-8)30(16-22)39-7/h9-10,13-19H,11-12H2,1-8H3.

What are the key properties of 8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?

8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline has a molecular weight of 559.66 g/mol, XLogP of 6.88, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8,9-dimethoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 44817658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).