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

C30H23N3O4 — CID 126401311

IUPAC[2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
SMILESCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C30H23N3O4/c1-36-26-18-20(16-17-25(26)37-30(35)22-12-6-3-7-13-22)19-31-33-29(34)28-27(21-10-4-2-5-11-21)23-14-8-9-15-24(23)32-28/h2-19,32H,1H3,(H,33,34)
InChIKeyAXXBBDJRMOHOBH-UHFFFAOYSA-N
MW489.53 g/mol
LogP5.83
Rot. Bonds7

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

[2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 126401311) has the molecular formula C30H23N3O4 and a molecular weight of 489.53 g/mol. Its IUPAC name is [2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
PubChem CID126401311
Molecular FormulaC30H23N3O4
Molecular Weight489.53 g/mol
Exact Mass489.17
IUPAC Name[2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
SMILESCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C30H23N3O4/c1-36-26-18-20(16-17-25(26)37-30(35)22-12-6-3-7-13-22)19-31-33-29(34)28-27(21-10-4-2-5-11-21)23-14-8-9-15-24(23)32-28/h2-19,32H,1H3,(H,33,34)
InChIKeyAXXBBDJRMOHOBH-UHFFFAOYSA-N
XLogP5.83
TPSA92.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.53
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

[2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 126402058
[2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126402849
[2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126403190
[2-ethoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126402297
[4-[[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-bromobenzoate
CID 126402833
[4-[[(5-iodo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 126402677
[4-[[(4-bromo-7-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 126403897
[4-[[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-acetyloxy-3-methoxybenzoate
CID 126402094
[2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126402260
[4-[[(5-ethoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3,4,5-trimethoxybenzoate
CID 126402183
[4-[[(5-iodo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-nitrobenzoate
CID 126402426
[4-[[(5-ethoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-bromobenzoate
CID 126403452

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate (CID 126401311) is [2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate is COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1.
What is the InChIKey of [2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is AXXBBDJRMOHOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O4/c1-36-26-18-20(16-17-25(26)37-30(35)22-12-6-3-7-13-22)19-31-33-29(34)28-27(21-10-4-2-5-11-21)23-14-8-9-15-24(23)32-28/h2-19,32H,1H3,(H,33,34).
What are the key properties of [2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate?
[2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 489.53 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 126401311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).