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

C32H35NO7 — CID 44817683

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

2-methoxy-5-[9-methoxy-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]phenol (PubChem CID 44817683) has the molecular formula C32H35NO7 and a molecular weight of 545.63 g/mol. Its IUPAC name is 2-methoxy-5-[9-methoxy-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]phenol.

Molecular Properties

• Compound Name: 2-methoxy-5-[9-methoxy-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]phenol
• PubChem CID: 44817683
• Molecular Formula: C32H35NO7
• Molecular Weight: 545.63 g/mol
• Exact Mass: 545.24
• IUPAC Name: 2-methoxy-5-[9-methoxy-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]phenol
• SMILES: COc1ccc(-c2cn3c(c2-c2cc(OC)c(OC)c(OC)c2)-c2cc(OC)c(OC(C)C)cc2CC3)cc1O
• InChI: InChI=1S/C32H35NO7/c1-18(2)40-27-13-20-10-11-33-17-23(19-8-9-25(35-3)24(34)12-19)30(31(33)22(20)16-26(27)36-4)21-14-28(37-5)32(39-7)29(15-21)38-6/h8-9,12-18,34H,10-11H2,1-7H3
• InChIKey: AEUCONBGVRJNSE-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 80.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.63
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-methoxy-5-[9-methoxy-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]phenol (CID 44817683) is 2-methoxy-5-[9-methoxy-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]phenol.

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

The canonical SMILES for 2-methoxy-5-[9-methoxy-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]phenol is COc1ccc(-c2cn3c(c2-c2cc(OC)c(OC)c(OC)c2)-c2cc(OC)c(OC(C)C)cc2CC3)cc1O.

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

The InChIKey is AEUCONBGVRJNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO7/c1-18(2)40-27-13-20-10-11-33-17-23(19-8-9-25(35-3)24(34)12-19)30(31(33)22(20)16-26(27)36-4)21-14-28(37-5)32(39-7)29(15-21)38-6/h8-9,12-18,34H,10-11H2,1-7H3.

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

2-methoxy-5-[9-methoxy-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]phenol has a molecular weight of 545.63 g/mol, XLogP of 6.58, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-5-[9-methoxy-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]phenol is sourced from PubChem (CID 44817683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).