ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline

C32H34N2O2 — CID 145106983

About ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline

ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 145106983) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

• Compound Name: ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline
• PubChem CID: 145106983
• Molecular Formula: C32H34N2O2
• Molecular Weight: 478.64 g/mol
• Exact Mass: 478.26
• IUPAC Name: ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline
• SMILES: CC.COc1cc2c(cc1OCc1ccccc1)CCNC2/C=C/c1ccc(-c2ccccn2)cc1
• InChI: InChI=1S/C30H28N2O2.C2H6/c1-33-29-20-26-25(19-30(29)34-21-23-7-3-2-4-8-23)16-18-32-28(26)15-12-22-10-13-24(14-11-22)27-9-5-6-17-31-27;1-2/h2-15,17,19-20,28,32H,16,18,21H2,1H3;1-2H3/b15-12+
• InChIKey: HXQQJATXXYPUDA-JRUHLWALSA-N
• XLogP: 7.26
• TPSA: 43.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.64
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline?

The IUPAC name of ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline (CID 145106983) is ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline.

What is the SMILES notation for ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline?

The canonical SMILES for ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline is CC.COc1cc2c(cc1OCc1ccccc1)CCNC2/C=C/c1ccc(-c2ccccn2)cc1.

What is the InChIKey of ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline?

The InChIKey is HXQQJATXXYPUDA-JRUHLWALSA-N. The full InChI is InChI=1S/C30H28N2O2.C2H6/c1-33-29-20-26-25(19-30(29)34-21-23-7-3-2-4-8-23)16-18-32-28(26)15-12-22-10-13-24(14-11-22)27-9-5-6-17-31-27;1-2/h2-15,17,19-20,28,32H,16,18,21H2,1H3;1-2H3/b15-12+;.

What are the key properties of ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline?

ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 478.64 g/mol, XLogP of 7.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;7-methoxy-6-phenylmethoxy-1-[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 145106983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).