4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate

C20H17N2O3- — CID 7295893

IUPAC4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
SMILESCOc1ccc2cc(/C(C)=N\Nc3ccc(C(=O)[O-])cc3)ccc2c1
InChIInChI=1S/C20H18N2O3/c1-13(21-22-18-8-5-14(6-9-18)20(23)24)15-3-4-17-12-19(25-2)10-7-16(17)11-15/h3-12,22H,1-2H3,(H,23,24)/p-1/b21-13-
InChIKeyYKXNRMZXPFYJNL-BKUYFWCQSA-M
MW333.37 g/mol
LogP3.05
Rot. Bonds5

About 4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate

4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate (PubChem CID 7295893) has the molecular formula C20H17N2O3- and a molecular weight of 333.37 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
PubChem CID7295893
Molecular FormulaC20H17N2O3-
Molecular Weight333.37 g/mol
Exact Mass333.12
IUPAC Name4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
SMILESCOc1ccc2cc(/C(C)=N\Nc3ccc(C(=O)[O-])cc3)ccc2c1
InChIInChI=1S/C20H18N2O3/c1-13(21-22-18-8-5-14(6-9-18)20(23)24)15-3-4-17-12-19(25-2)10-7-16(17)11-15/h3-12,22H,1-2H3,(H,23,24)/p-1/b21-13-
InChIKeyYKXNRMZXPFYJNL-BKUYFWCQSA-M
XLogP3.05
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.05
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'}

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Related Compounds

4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 7734089
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate
CID 9012825
4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 9012896
4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
CID 7761403
4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7824518
4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 121473240
4-[(2Z)-2-[1-[3-[(diethylazaniumyl)methyl]-4-methoxyphenyl]ethylidene]hydrazinyl]benzoate
CID 9012973
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
CID 75409663
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 6173282
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide
CID 7937122

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate (CID 7295893) is 4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate is COc1ccc2cc(/C(C)=N\Nc3ccc(C(=O)[O-])cc3)ccc2c1.
What is the InChIKey of 4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate?
The InChIKey is YKXNRMZXPFYJNL-BKUYFWCQSA-M. The full InChI is InChI=1S/C20H18N2O3/c1-13(21-22-18-8-5-14(6-9-18)20(23)24)15-3-4-17-12-19(25-2)10-7-16(17)11-15/h3-12,22H,1-2H3,(H,23,24)/p-1/b21-13-.
What are the key properties of 4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate has a molecular weight of 333.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7295893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).