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

C35H41NO7 — CID 44817659

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

9-methoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline (PubChem CID 44817659) has the molecular formula C35H41NO7 and a molecular weight of 587.71 g/mol. Its IUPAC name is 9-methoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

• Compound Name: 9-methoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
• PubChem CID: 44817659
• Molecular Formula: C35H41NO7
• Molecular Weight: 587.71 g/mol
• Exact Mass: 587.29
• IUPAC Name: 9-methoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
• SMILES: COc1ccc(-c2cn3c(c2-c2cc(OC)c(OC)c(OC)c2)-c2cc(OC)c(OC(C)C)cc2CC3)cc1OC(C)C
• InChI: InChI=1S/C35H41NO7/c1-20(2)42-29-14-22(10-11-27(29)37-5)26-19-36-13-12-23-15-30(43-21(3)4)28(38-6)18-25(23)34(36)33(26)24-16-31(39-7)35(41-9)32(17-24)40-8/h10-11,14-21H,12-13H2,1-9H3
• InChIKey: HAKMLWALBKHQNX-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 69.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.71
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 9-methoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline (CID 44817659) is 9-methoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline.

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

The canonical SMILES for 9-methoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline is COc1ccc(-c2cn3c(c2-c2cc(OC)c(OC)c(OC)c2)-c2cc(OC)c(OC(C)C)cc2CC3)cc1OC(C)C.

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

The InChIKey is HAKMLWALBKHQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41NO7/c1-20(2)42-29-14-22(10-11-27(29)37-5)26-19-36-13-12-23-15-30(43-21(3)4)28(38-6)18-25(23)34(36)33(26)24-16-31(39-7)35(41-9)32(17-24)40-8/h10-11,14-21H,12-13H2,1-9H3.

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

9-methoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline has a molecular weight of 587.71 g/mol, XLogP of 7.66, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-methoxy-2-(4-methoxy-3-propan-2-yloxyphenyl)-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 44817659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).