ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

C25H24ClNO4 — CID 41123460

About ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (PubChem CID 41123460) has the molecular formula C25H24ClNO4 and a molecular weight of 437.92 g/mol. Its IUPAC name is ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
• PubChem CID: 41123460
• Molecular Formula: C25H24ClNO4
• Molecular Weight: 437.92 g/mol
• Exact Mass: 437.14
• IUPAC Name: ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
• SMILES: CCOC(=O)c1[nH]c2c(c1Cc1ccccc1OC)C(=O)C[C@H](c1ccc(Cl)cc1)C2
• InChI: InChI=1S/C25H24ClNO4/c1-3-31-25(29)24-19(12-16-6-4-5-7-22(16)30-2)23-20(27-24)13-17(14-21(23)28)15-8-10-18(26)11-9-15/h4-11,17,27H,3,12-14H2,1-2H3/t17-/m1/s1
• InChIKey: VAHBVODPVHQBIS-QGZVFWFLSA-N
• XLogP: 5.36
• TPSA: 68.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.92
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?

The IUPAC name of ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (CID 41123460) is ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.

What is the SMILES notation for ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?

The canonical SMILES for ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is CCOC(=O)c1[nH]c2c(c1Cc1ccccc1OC)C(=O)C[C@H](c1ccc(Cl)cc1)C2.

What is the InChIKey of ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?

The InChIKey is VAHBVODPVHQBIS-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H24ClNO4/c1-3-31-25(29)24-19(12-16-6-4-5-7-22(16)30-2)23-20(27-24)13-17(14-21(23)28)15-8-10-18(26)11-9-15/h4-11,17,27H,3,12-14H2,1-2H3/t17-/m1/s1.

What are the key properties of ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?

ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate has a molecular weight of 437.92 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6R)-6-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is sourced from PubChem (CID 41123460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).