[4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate

C30H24ClN3O7 — CID 126402867

About [4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate

[4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate (PubChem CID 126402867) has the molecular formula C30H24ClN3O7 and a molecular weight of 573.99 g/mol. Its IUPAC name is [4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate.

Molecular Properties

• Compound Name: [4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
• PubChem CID: 126402867
• Molecular Formula: C30H24ClN3O7
• Molecular Weight: 573.99 g/mol
• Exact Mass: 573.13
• IUPAC Name: [4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
• SMILES: COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1
• InChI: InChI=1S/C30H24ClN3O7/c1-37-21-12-13-22(38-2)27-26(21)25(18-7-4-5-8-19(18)31)28(33-27)29(35)34-32-16-17-10-11-20(24(15-17)39-3)41-30(36)23-9-6-14-40-23/h4-16,33H,1-3H3,(H,34,35)
• InChIKey: SNFCWQRJBJDDJT-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 124.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.99
LogP ≤ 5	6.09
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 [4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate?

The IUPAC name of [4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate (CID 126402867) is [4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate.

What is the SMILES notation for [4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate?

The canonical SMILES for [4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate is COc1cc(C=NNC(=O)c2[nH]c3c(OC)ccc(OC)c3c2-c2ccccc2Cl)ccc1OC(=O)c1ccco1.

What is the InChIKey of [4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate?

The InChIKey is SNFCWQRJBJDDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN3O7/c1-37-21-12-13-22(38-2)27-26(21)25(18-7-4-5-8-19(18)31)28(33-27)29(35)34-32-16-17-10-11-20(24(15-17)39-3)41-30(36)23-9-6-14-40-23/h4-16,33H,1-3H3,(H,34,35).

What are the key properties of [4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate?

[4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate has a molecular weight of 573.99 g/mol, XLogP of 6.09, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[[3-(2-chlorophenyl)-4,7-dimethoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate is sourced from PubChem (CID 126402867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).