[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate

C25H20N2O3 — CID 20982245

IUPAC[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate
SMILESCOc1cc(C=NNc2ccccc2)ccc1OC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C25H20N2O3/c1-29-24-15-18(17-26-27-22-9-3-2-4-10-22)11-14-23(24)30-25(28)21-13-12-19-7-5-6-8-20(19)16-21/h2-17,27H,1H3
InChIKeyAWJYNNJRMHXPON-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.51
Rot. Bonds6

About [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate

[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate (PubChem CID 20982245) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate
PubChem CID20982245
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate
SMILESCOc1cc(C=NNc2ccccc2)ccc1OC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C25H20N2O3/c1-29-24-15-18(17-26-27-22-9-3-2-4-10-22)11-14-23(24)30-25(28)21-13-12-19-7-5-6-8-20(19)16-21/h2-17,27H,1H3
InChIKeyAWJYNNJRMHXPON-UHFFFAOYSA-N
XLogP5.51
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.51
H-Bond Donors ≤ 51
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-[(E)-(phenylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 110340983
[2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate
CID 110840980
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 129440523
[4-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 50870157
4-[(2Z)-2-[[4-(furan-2-carbonyloxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 9013237
[4-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate
CID 5218934
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate
CID 169383112
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 51060495
[2-methoxy-4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6267909
[4-[(Z)-[(3,5-dihydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 26871357
[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 168627267
[2-methoxy-4-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 6282018

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate?
The IUPAC name of [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate (CID 20982245) is [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate is COc1cc(C=NNc2ccccc2)ccc1OC(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate?
The InChIKey is AWJYNNJRMHXPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-29-24-15-18(17-26-27-22-9-3-2-4-10-22)11-14-23(24)30-25(28)21-13-12-19-7-5-6-8-20(19)16-21/h2-17,27H,1H3.
What are the key properties of [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate?
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] naphthalene-2-carboxylate is sourced from PubChem (CID 20982245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).