methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate

C19H19BrN2O4 — CID 135633379

IUPACmethyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(/N=C/c2cc(Br)ccc2O)ccc1N1CCOCC1
InChIInChI=1S/C19H19BrN2O4/c1-25-19(24)16-11-15(3-4-17(16)22-6-8-26-9-7-22)21-12-13-10-14(20)2-5-18(13)23/h2-5,10-12,23H,6-9H2,1H3/b21-12+
InChIKeyYTDSKSJLLDOXDD-CIAFOILYSA-N
MW419.28 g/mol
LogP3.53
Rot. Bonds4

About methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate

methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate (PubChem CID 135633379) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate
PubChem CID135633379
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Namemethyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(/N=C/c2cc(Br)ccc2O)ccc1N1CCOCC1
InChIInChI=1S/C19H19BrN2O4/c1-25-19(24)16-11-15(3-4-17(16)22-6-8-26-9-7-22)21-12-13-10-14(20)2-5-18(13)23/h2-5,10-12,23H,6-9H2,1H3/b21-12+
InChIKeyYTDSKSJLLDOXDD-CIAFOILYSA-N
XLogP3.53
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 4250391
dimethyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595464
methyl 2-morpholin-4-yl-5-sulfanylbenzoate
CID 71105835
methyl 5-isocyano-2-morpholin-4-ylbenzoate
CID 140820727
methyl 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2039329
5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid
CID 50885110
1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3910850
4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2852856
methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate
CID 126245259
4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 4848013
5-[(3-bromo-4-morpholin-4-ylphenyl)iminomethyl]-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
CID 1330927
4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 3467831

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate (CID 135633379) is methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate is COC(=O)c1cc(/N=C/c2cc(Br)ccc2O)ccc1N1CCOCC1.
What is the InChIKey of methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate?
The InChIKey is YTDSKSJLLDOXDD-CIAFOILYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-25-19(24)16-11-15(3-4-17(16)22-6-8-26-9-7-22)21-12-13-10-14(20)2-5-18(13)23/h2-5,10-12,23H,6-9H2,1H3/b21-12+.
What are the key properties of methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate?
methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate has a molecular weight of 419.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 135633379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).