[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate

C21H18N2O5 — CID 1009993

IUPAC[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OC(C)=O
InChIInChI=1S/C21H18N2O5/c1-13(24)28-19-8-7-14(9-20(19)27-2)12-22-23-21(26)17-10-15-5-3-4-6-16(15)11-18(17)25/h3-12,25H,1-2H3,(H,23,26)
InChIKeyMZDQCFOWGSDKNE-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.24
Rot. Bonds5

About [4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate

[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate (PubChem CID 1009993) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is [4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
PubChem CID1009993
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OC(C)=O
InChIInChI=1S/C21H18N2O5/c1-13(24)28-19-8-7-14(9-20(19)27-2)12-22-23-21(26)17-10-15-5-3-4-6-16(15)11-18(17)25/h3-12,25H,1-2H3,(H,23,26)
InChIKeyMZDQCFOWGSDKNE-UHFFFAOYSA-N
XLogP3.24
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 3128061
3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
[4-[[(2-iodobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 1008577
[4-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-methyl-3-nitrobenzoate
CID 6027427
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6092862
3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 5430547
[2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 1008575
[4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 4507669
N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 176513819
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3976610
[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 6323018

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate (CID 1009993) is [4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate is COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OC(C)=O.
What is the InChIKey of [4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate?
The InChIKey is MZDQCFOWGSDKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-13(24)28-19-8-7-14(9-20(19)27-2)12-22-23-21(26)17-10-15-5-3-4-6-16(15)11-18(17)25/h3-12,25H,1-2H3,(H,23,26).
What are the key properties of [4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate?
[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate has a molecular weight of 378.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 1009993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).