2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid

C18H19N3O3 — CID 45327412

IUPAC2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1N/N=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19N3O3/c22-18(23)16-3-1-2-4-17(16)20-19-13-14-5-7-15(8-6-14)21-9-11-24-12-10-21/h1-8,13,20H,9-12H2,(H,22,23)/b19-13+
InChIKeyJEDYNPXEXCGKCR-CPNJWEJPSA-N
MW325.37 g/mol
LogP2.67
Rot. Bonds5

About 2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid

2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 45327412) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID45327412
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1N/N=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19N3O3/c22-18(23)16-3-1-2-4-17(16)20-19-13-14-5-7-15(8-6-14)21-9-11-24-12-10-21/h1-8,13,20H,9-12H2,(H,22,23)/b19-13+
InChIKeyJEDYNPXEXCGKCR-CPNJWEJPSA-N
XLogP2.67
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_A(19)', '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

2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid
CID 3905063
2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 2330481
2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]benzoic acid
CID 20982677
2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoic acid
CID 75665244
2-[2-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841357
1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 6905503
2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline
CID 7955344
1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid
CID 169383937
2-(benzenesulfonamido)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 9038855
2-[(2E)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]benzoic acid
CID 45327660
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline
CID 4061939

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid (CID 45327412) is 2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid is O=C(O)c1ccccc1N/N=C/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is JEDYNPXEXCGKCR-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-18(23)16-3-1-2-4-17(16)20-19-13-14-5-7-15(8-6-14)21-9-11-24-12-10-21/h1-8,13,20H,9-12H2,(H,22,23)/b19-13+.
What are the key properties of 2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid?
2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 325.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 45327412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).