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

C33H29N3O5 — CID 126403464

IUPAC[2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
SMILESCCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1
InChIInChI=1S/C33H29N3O5/c1-4-40-28-19-22(13-18-27(28)41-33(38)24-14-16-25(39-3)17-15-24)20-34-36-32(37)31-29(23-10-6-5-7-11-23)26-12-8-9-21(2)30(26)35-31/h5-20,35H,4H2,1-3H3,(H,36,37)
InChIKeyWMXHNSCTLZOYEE-UHFFFAOYSA-N
MW547.61 g/mol
LogP6.53
Rot. Bonds9

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

[2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate (PubChem CID 126403464) has the molecular formula C33H29N3O5 and a molecular weight of 547.61 g/mol. Its IUPAC name is [2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
PubChem CID126403464
Molecular FormulaC33H29N3O5
Molecular Weight547.61 g/mol
Exact Mass547.21
IUPAC Name[2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
SMILESCCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1
InChIInChI=1S/C33H29N3O5/c1-4-40-28-19-22(13-18-27(28)41-33(38)24-14-16-25(39-3)17-15-24)20-34-36-32(37)31-29(23-10-6-5-7-11-23)26-12-8-9-21(2)30(26)35-31/h5-20,35H,4H2,1-3H3,(H,36,37)
InChIKeyWMXHNSCTLZOYEE-UHFFFAOYSA-N
XLogP6.53
TPSA102.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.61
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze [2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate with MolForge

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Related Compounds

[2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126402260
[2-ethoxy-4-[[(7-iodo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126402533
[2-ethoxy-4-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126402653
[2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-(trifluoromethyl)benzoate
CID 126401016
[2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126402564
[4-[[(7-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 126401369
[4-[[(5,7-dimethyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 126402080
[4-[[(7-fluoro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 126402556
[2-ethoxy-4-[[(3-phenyl-1H-benzo[g]indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 126401835
[2-ethoxy-4-[[(7-iodo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126401843
[2-ethoxy-4-[[(7-fluoro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-acetyloxy-3-methoxybenzoate
CID 126400810
[4-[[[3-(2-chlorophenyl)-7-methyl-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 3,4,5-trimethoxybenzoate
CID 126401733

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The IUPAC name of [2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate (CID 126403464) is [2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The canonical SMILES for [2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate is CCOc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1.
What is the InChIKey of [2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The InChIKey is WMXHNSCTLZOYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O5/c1-4-40-28-19-22(13-18-27(28)41-33(38)24-14-16-25(39-3)17-15-24)20-34-36-32(37)31-29(23-10-6-5-7-11-23)26-12-8-9-21(2)30(26)35-31/h5-20,35H,4H2,1-3H3,(H,36,37).
What are the key properties of [2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
[2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate has a molecular weight of 547.61 g/mol, XLogP of 6.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 126403464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).