ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate

C23H25NO4S — CID 89464790

About ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate

ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate (PubChem CID 89464790) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
• PubChem CID: 89464790
• Molecular Formula: C23H25NO4S
• Molecular Weight: 411.52 g/mol
• Exact Mass: 411.15
• IUPAC Name: ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
• SMILES: CCOC(=O)c1cc2n(c1-c1cccs1)CCc1cc(OC)c(OC(C)C)cc1-2
• InChI: InChI=1S/C23H25NO4S/c1-5-27-23(25)17-12-18-16-13-20(28-14(2)3)19(26-4)11-15(16)8-9-24(18)22(17)21-7-6-10-29-21/h6-7,10-14H,5,8-9H2,1-4H3
• InChIKey: UFDYSYHJZHNENP-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 49.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.52
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate?

The IUPAC name of ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate (CID 89464790) is ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate.

What is the SMILES notation for ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate?

The canonical SMILES for ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate is CCOC(=O)c1cc2n(c1-c1cccs1)CCc1cc(OC)c(OC(C)C)cc1-2.

What is the InChIKey of ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate?

The InChIKey is UFDYSYHJZHNENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-5-27-23(25)17-12-18-16-13-20(28-14(2)3)19(26-4)11-15(16)8-9-24(18)22(17)21-7-6-10-29-21/h6-7,10-14H,5,8-9H2,1-4H3.

What are the key properties of ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate?

ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate has a molecular weight of 411.52 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate is sourced from PubChem (CID 89464790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).