[2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate

C32H27N3O6 — CID 126403190

About [2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate

[2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate (PubChem CID 126403190) has the molecular formula C32H27N3O6 and a molecular weight of 549.58 g/mol. Its IUPAC name is [2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate.

Molecular Properties

• Compound Name: [2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
• PubChem CID: 126403190
• Molecular Formula: C32H27N3O6
• Molecular Weight: 549.58 g/mol
• Exact Mass: 549.19
• IUPAC Name: [2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
• SMILES: COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(OC)cc4c3-c3ccccc3)cc2OC)cc1
• InChI: InChI=1S/C32H27N3O6/c1-38-23-12-10-22(11-13-23)32(37)41-27-16-9-20(17-28(27)40-3)19-33-35-31(36)30-29(21-7-5-4-6-8-21)25-18-24(39-2)14-15-26(25)34-30/h4-19,34H,1-3H3,(H,35,36)
• InChIKey: UZMRENKZRWVCOM-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 111.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.58
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?

The IUPAC name of [2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate (CID 126403190) is [2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate.

What is the SMILES notation for [2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?

The canonical SMILES for [2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3[nH]c4ccc(OC)cc4c3-c3ccccc3)cc2OC)cc1.

What is the InChIKey of [2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?

The InChIKey is UZMRENKZRWVCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O6/c1-38-23-12-10-22(11-13-23)32(37)41-27-16-9-20(17-28(27)40-3)19-33-35-31(36)30-29(21-7-5-4-6-8-21)25-18-24(39-2)14-15-26(25)34-30/h4-19,34H,1-3H3,(H,35,36).

What are the key properties of [2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?

[2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate has a molecular weight of 549.58 g/mol, XLogP of 5.84, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 126403190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).