ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate

C30H33N3O4 — CID 91472026

About ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate

ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate (PubChem CID 91472026) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate.

Molecular Properties

• Compound Name: ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate
• PubChem CID: 91472026
• Molecular Formula: C30H33N3O4
• Molecular Weight: 499.61 g/mol
• Exact Mass: 499.25
• IUPAC Name: ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate
• SMILES: CCOC(=O)N(c1cccc(C2=NC(C)(C)Cc3cc(OC)c4c(c32)CC(C)(C)O4)c1)c1ccccn1
• InChI: InChI=1S/C30H33N3O4/c1-7-36-28(34)33(24-13-8-9-14-31-24)21-12-10-11-19(15-21)26-25-20(17-29(2,3)32-26)16-23(35-6)27-22(25)18-30(4,5)37-27/h8-16H,7,17-18H2,1-6H3
• InChIKey: HJKRDMUHPOQPNX-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 73.25 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.61
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate?

The IUPAC name of ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate (CID 91472026) is ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate.

What is the SMILES notation for ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate?

The canonical SMILES for ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate is CCOC(=O)N(c1cccc(C2=NC(C)(C)Cc3cc(OC)c4c(c32)CC(C)(C)O4)c1)c1ccccn1.

What is the InChIKey of ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate?

The InChIKey is HJKRDMUHPOQPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-7-36-28(34)33(24-13-8-9-14-31-24)21-12-10-11-19(15-21)26-25-20(17-29(2,3)32-26)16-23(35-6)27-22(25)18-30(4,5)37-27/h8-16H,7,17-18H2,1-6H3.

What are the key properties of ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate?

ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate has a molecular weight of 499.61 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate is sourced from PubChem (CID 91472026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).