[1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate

C25H18N2O4 — CID 6092077

IUPAC[1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
SMILESO=C(Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C25H18N2O4/c28-22-13-7-6-12-20(22)24(29)27-26-16-21-19-11-5-4-8-17(19)14-15-23(21)31-25(30)18-9-2-1-3-10-18/h1-16,28H,(H,27,29)/b26-16-
InChIKeyKZRGPKZMDKOJNL-QQXSKIMKSA-N
MW410.43 g/mol
LogP4.53
Rot. Bonds5

About [1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate

[1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate (PubChem CID 6092077) has the molecular formula C25H18N2O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is [1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate.

Molecular Properties

Compound Name[1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
PubChem CID6092077
Molecular FormulaC25H18N2O4
Molecular Weight410.43 g/mol
Exact Mass410.13
IUPAC Name[1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
SMILESO=C(Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C25H18N2O4/c28-22-13-7-6-12-20(22)24(29)27-26-16-21-19-11-5-4-8-17(19)14-15-23(21)31-25(30)18-9-2-1-3-10-18/h1-16,28H,(H,27,29)/b26-16-
InChIKeyKZRGPKZMDKOJNL-QQXSKIMKSA-N
XLogP4.53
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.53
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

[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 3442368
[1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate
CID 46500871
[1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 6002854
[1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 4093667
[1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 4071178
N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide
CID 9078032
[1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6017514
[1-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6186341
[1-[(E)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 51061339
[1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6014791
[1-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 6078451
[1-[[(2-fluorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 3352750

Frequently Asked Questions

What is the IUPAC name of [1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The IUPAC name of [1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate (CID 6092077) is [1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate.
What is the SMILES notation for [1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The canonical SMILES for [1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate is O=C(Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1O)c1ccccc1.
What is the InChIKey of [1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The InChIKey is KZRGPKZMDKOJNL-QQXSKIMKSA-N. The full InChI is InChI=1S/C25H18N2O4/c28-22-13-7-6-12-20(22)24(29)27-26-16-21-19-11-5-4-8-17(19)14-15-23(21)31-25(30)18-9-2-1-3-10-18/h1-16,28H,(H,27,29)/b26-16-.
What are the key properties of [1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
[1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate has a molecular weight of 410.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate is sourced from PubChem (CID 6092077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).