[2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate

C34H31N3O7 — CID 126402564

About [2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate

[2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate (PubChem CID 126402564) has the molecular formula C34H31N3O7 and a molecular weight of 593.64 g/mol. Its IUPAC name is [2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate.

Molecular Properties

• Compound Name: [2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
• PubChem CID: 126402564
• Molecular Formula: C34H31N3O7
• Molecular Weight: 593.64 g/mol
• Exact Mass: 593.22
• IUPAC Name: [2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
• SMILES: COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1
• InChI: InChI=1S/C34H31N3O7/c1-20-10-9-13-24-29(22-11-7-6-8-12-22)31(36-30(20)24)33(38)37-35-19-21-14-15-25(26(16-21)40-2)44-34(39)23-17-27(41-3)32(43-5)28(18-23)42-4/h6-19,36H,1-5H3,(H,37,38)
• InChIKey: QDTFXXVDYJREAU-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 120.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.64
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate?

The IUPAC name of [2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate (CID 126402564) is [2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate.

What is the SMILES notation for [2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate?

The canonical SMILES for [2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate is COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1.

What is the InChIKey of [2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate?

The InChIKey is QDTFXXVDYJREAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O7/c1-20-10-9-13-24-29(22-11-7-6-8-12-22)31(36-30(20)24)33(38)37-35-19-21-14-15-25(26(16-21)40-2)44-34(39)23-17-27(41-3)32(43-5)28(18-23)42-4/h6-19,36H,1-5H3,(H,37,38).

What are the key properties of [2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate?

[2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate has a molecular weight of 593.64 g/mol, XLogP of 6.16, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 126402564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).