methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate

C20H16N2O4 — CID 9212359

IUPACmethyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\NC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C20H16N2O4/c1-26-20(25)16-9-5-4-8-15(16)12-21-22-19(24)17-10-13-6-2-3-7-14(13)11-18(17)23/h2-12,23H,1H3,(H,22,24)/b21-12-
InChIKeyJBKRPIWZIYFKAW-MTJSOVHGSA-N
MW348.36 g/mol
LogP3.10
Rot. Bonds4

About methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate

methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate (PubChem CID 9212359) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
PubChem CID9212359
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Namemethyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\NC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C20H16N2O4/c1-26-20(25)16-9-5-4-8-15(16)12-21-22-19(24)17-10-13-6-2-3-7-14(13)11-18(17)23/h2-12,23H,1H3,(H,22,24)/b21-12-
InChIKeyJBKRPIWZIYFKAW-MTJSOVHGSA-N
XLogP3.10
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 176513819
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3976610
N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5437236
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6870532
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6870474
methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9231447
N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 2590173
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate
CID 134847140

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate (CID 9212359) is methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate is COC(=O)c1ccccc1/C=N\NC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate?
The InChIKey is JBKRPIWZIYFKAW-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-26-20(25)16-9-5-4-8-15(16)12-21-22-19(24)17-10-13-6-2-3-7-14(13)11-18(17)23/h2-12,23H,1H3,(H,22,24)/b21-12-.
What are the key properties of methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate?
methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate has a molecular weight of 348.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 9212359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).