6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium

C59H50Br4N2O13YZn — CID 159743924

About 6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium

6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium (PubChem CID 159743924) has the molecular formula C59H50Br4N2O13YZn and a molecular weight of 1468.96 g/mol. Its IUPAC name is 6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium.

Molecular Properties

• Compound Name: 6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium
• PubChem CID: 159743924
• Molecular Formula: C59H50Br4N2O13YZn
• Molecular Weight: 1468.96 g/mol
• Exact Mass: 1462.84
• IUPAC Name: 6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium
• SMILES: COC(=O)C1=C(C)c2ccccc2CN1c1ccccc1Br.COC(=O)C1=C(c2cc(OC)c3c(c2)OCO3)c2ccccc2CN1c1ccccc1Br.COc1c[c-]cc2c1OCO2.COc1cc(Br)cc2c1OCO2.[Y].[Zn+]Br
• InChI: InChI=1S/C25H20BrNO5.C18H16BrNO2.C8H7BrO3.C8H7O3.BrH.Y.Zn/c1-29-20-11-16(12-21-24(20)32-14-31-21)22-17-8-4-3-7-15(17)13-27(23(22)25(28)30-2)19-10-6-5-9-18(19)26;1-12-14-8-4-3-7-13(14)11-20(17(12)18(21)22-2)16-10-6-5-9-15(16)19;1-10-6-2-5(9)3-7-8(6)12-4-11-7;1-9-6-3-2-4-7-8(6)11-5-10-7;;;/h3-12H,13-14H2,1-2H3;3-10H,11H2,1-2H3;2-3H,4H2,1H3;3-4H,5H2,1H3;1H;;/q;;;-1;;;+2/p-1
• InChIKey: LDCZVDKDMVYHBE-UHFFFAOYSA-M
• XLogP: 13.76
• TPSA: 142.15 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1468.96
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium?

The IUPAC name of 6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium (CID 159743924) is 6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium.

What is the SMILES notation for 6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium?

The canonical SMILES for 6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium is COC(=O)C1=C(C)c2ccccc2CN1c1ccccc1Br.COC(=O)C1=C(c2cc(OC)c3c(c2)OCO3)c2ccccc2CN1c1ccccc1Br.COc1c[c-]cc2c1OCO2.COc1cc(Br)cc2c1OCO2.[Y].[Zn+]Br.

What is the InChIKey of 6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium?

The InChIKey is LDCZVDKDMVYHBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H20BrNO5.C18H16BrNO2.C8H7BrO3.C8H7O3.BrH.Y.Zn/c1-29-20-11-16(12-21-24(20)32-14-31-21)22-17-8-4-3-7-15(17)13-27(23(22)25(28)30-2)19-10-6-5-9-18(19)26;1-12-14-8-4-3-7-13(14)11-20(17(12)18(21)22-2)16-10-6-5-9-15(16)19;1-10-6-2-5(9)3-7-8(6)12-4-11-7;1-9-6-3-2-4-7-8(6)11-5-10-7;;;/h3-12H,13-14H2,1-2H3;3-10H,11H2,1-2H3;2-3H,4H2,1H3;3-4H,5H2,1H3;1H;;/q;;;-1;;;+2/p-1.

What are the key properties of 6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium?

6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium has a molecular weight of 1468.96 g/mol, XLogP of 13.76, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-methoxy-1,3-benzodioxole;bromozinc(1+);7-methoxy-5H-1,3-benzodioxol-5-ide;methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate;methyl 2-(2-bromophenyl)-4-methyl-1H-isoquinoline-3-carboxylate;yttrium is sourced from PubChem (CID 159743924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).