[2-ethoxy-4-[[(7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate

C30H25N3O6 — CID 126401725

About [2-ethoxy-4-[[(7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate

[2-ethoxy-4-[[(7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate (PubChem CID 126401725) has the molecular formula C30H25N3O6 and a molecular weight of 523.55 g/mol. Its IUPAC name is [2-ethoxy-4-[[(7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate.

Molecular Properties

• Compound Name: [2-ethoxy-4-[[(7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
• PubChem CID: 126401725
• Molecular Formula: C30H25N3O6
• Molecular Weight: 523.55 g/mol
• Exact Mass: 523.17
• IUPAC Name: [2-ethoxy-4-[[(7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
• SMILES: CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1
• InChI: InChI=1S/C30H25N3O6/c1-3-37-25-17-19(14-15-22(25)39-30(35)24-13-8-16-38-24)18-31-33-29(34)28-26(20-9-5-4-6-10-20)21-11-7-12-23(36-2)27(21)32-28/h4-18,32H,3H2,1-2H3,(H,33,34)
• InChIKey: HEQSDIGOKBCGMY-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 115.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.55
LogP ≤ 5	5.82
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-ethoxy-4-[[(7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate?

The IUPAC name of [2-ethoxy-4-[[(7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate (CID 126401725) is [2-ethoxy-4-[[(7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate.

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

The canonical SMILES for [2-ethoxy-4-[[(7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is CCOc1cc(C=NNC(=O)c2[nH]c3c(OC)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1.

What is the InChIKey of [2-ethoxy-4-[[(7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate?

The InChIKey is HEQSDIGOKBCGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O6/c1-3-37-25-17-19(14-15-22(25)39-30(35)24-13-8-16-38-24)18-31-33-29(34)28-26(20-9-5-4-6-10-20)21-11-7-12-23(36-2)27(21)32-28/h4-18,32H,3H2,1-2H3,(H,33,34).

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

[2-ethoxy-4-[[(7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate has a molecular weight of 523.55 g/mol, XLogP of 5.82, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-ethoxy-4-[[(7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 126401725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).