ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate

C43H55NO10 — CID 134867614

About ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate

ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate (PubChem CID 134867614) has the molecular formula C43H55NO10 and a molecular weight of 745.91 g/mol. Its IUPAC name is ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
• PubChem CID: 134867614
• Molecular Formula: C43H55NO10
• Molecular Weight: 745.91 g/mol
• Exact Mass: 745.38
• IUPAC Name: ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
• SMILES: CCOC(=O)c1c(-c2cc(OC)c(OC(C)C)cc2OC(C)C)c(-c2ccc(OC(C)C)c(OC)c2)c2n1CCc1c-2cc(OC)c(OC)c1OC(C)C
• InChI: InChI=1S/C43H55NO10/c1-14-50-43(45)40-38(30-21-34(47-11)35(53-25(6)7)22-32(30)52-24(4)5)37(27-15-16-31(51-23(2)3)33(19-27)46-10)39-29-20-36(48-12)42(49-13)41(54-26(8)9)28(29)17-18-44(39)40/h15-16,19-26H,14,17-18H2,1-13H3
• InChIKey: SVPPNPNXKZATTF-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 105.07 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	745.91
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?

The IUPAC name of ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate (CID 134867614) is ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate.

What is the SMILES notation for ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?

The canonical SMILES for ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate is CCOC(=O)c1c(-c2cc(OC)c(OC(C)C)cc2OC(C)C)c(-c2ccc(OC(C)C)c(OC)c2)c2n1CCc1c-2cc(OC)c(OC)c1OC(C)C.

What is the InChIKey of ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?

The InChIKey is SVPPNPNXKZATTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H55NO10/c1-14-50-43(45)40-38(30-21-34(47-11)35(53-25(6)7)22-32(30)52-24(4)5)37(27-15-16-31(51-23(2)3)33(19-27)46-10)39-29-20-36(48-12)42(49-13)41(54-26(8)9)28(29)17-18-44(39)40/h15-16,19-26H,14,17-18H2,1-13H3.

What are the key properties of ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?

ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate has a molecular weight of 745.91 g/mol, XLogP of 9.41, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 8,9-dimethoxy-2-[5-methoxy-2,4-di(propan-2-yloxy)phenyl]-1-(3-methoxy-4-propan-2-yloxyphenyl)-7-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate is sourced from PubChem (CID 134867614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).