[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate

C30H22N2O3 — CID 4090058

IUPAC[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
SMILESO=C(Cc1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C30H22N2O3/c33-29(19-24-11-5-9-22-7-1-3-12-26(22)24)32-31-20-21-15-17-25(18-16-21)35-30(34)28-14-6-10-23-8-2-4-13-27(23)28/h1-18,20H,19H2,(H,32,33)
InChIKeyRHSFKAIRLGLNNP-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.91
Rot. Bonds6

About [4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate

[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate (PubChem CID 4090058) has the molecular formula C30H22N2O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is [4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
PubChem CID4090058
Molecular FormulaC30H22N2O3
Molecular Weight458.52 g/mol
Exact Mass458.16
IUPAC Name[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
SMILESO=C(Cc1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C30H22N2O3/c33-29(19-24-11-5-9-22-7-1-3-12-26(22)24)32-31-20-21-15-17-25(18-16-21)35-30(34)28-14-6-10-23-8-2-4-13-27(23)28/h1-18,20H,19H2,(H,32,33)
InChIKeyRHSFKAIRLGLNNP-UHFFFAOYSA-N
XLogP5.91
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 5108375
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3688388
[4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3481729
methyl 4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate
CID 5393689
[4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3667207
[4-[[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 3423321
[4-[(Z)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 6271935
[4-[(Z)-[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 6030741
[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate
CID 6291991
[4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 6036518
[2-methoxy-4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3948345
[4-[[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 5006155

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
The IUPAC name of [4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate (CID 4090058) is [4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate.
What is the SMILES notation for [4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
The canonical SMILES for [4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is O=C(Cc1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of [4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
The InChIKey is RHSFKAIRLGLNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O3/c33-29(19-24-11-5-9-22-7-1-3-12-26(22)24)32-31-20-21-15-17-25(18-16-21)35-30(34)28-14-6-10-23-8-2-4-13-27(23)28/h1-18,20H,19H2,(H,32,33).
What are the key properties of [4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate has a molecular weight of 458.52 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is sourced from PubChem (CID 4090058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).