[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate

C25H23ClN2O4 — CID 1124788

IUPAC[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate
SMILESCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OC(=O)c1ccccc1Cl
InChIInChI=1S/C25H23ClN2O4/c1-30-24-16-18(6-11-23(24)32-25(29)21-4-2-3-5-22(21)26)17-27-19-7-9-20(10-8-19)28-12-14-31-15-13-28/h2-11,16-17H,12-15H2,1H3/b27-17+
InChIKeyYEGCWHVQILKOSO-WPWMEQJKSA-N
MW450.92 g/mol
LogP5.16
Rot. Bonds6

About [2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate

[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate (PubChem CID 1124788) has the molecular formula C25H23ClN2O4 and a molecular weight of 450.92 g/mol. Its IUPAC name is [2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate
PubChem CID1124788
Molecular FormulaC25H23ClN2O4
Molecular Weight450.92 g/mol
Exact Mass450.13
IUPAC Name[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate
SMILESCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OC(=O)c1ccccc1Cl
InChIInChI=1S/C25H23ClN2O4/c1-30-24-16-18(6-11-23(24)32-25(29)21-4-2-3-5-22(21)26)17-27-19-7-9-20(10-8-19)28-12-14-31-15-13-28/h2-11,16-17H,12-15H2,1H3/b27-17+
InChIKeyYEGCWHVQILKOSO-WPWMEQJKSA-N
XLogP5.16
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.92
LogP ≤ 55.16
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] furan-2-carboxylate
CID 23789735
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 23738973
1-(3-ethoxy-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 23853870
1-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)methanimine
CID 1275998
2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 137125019
methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate
CID 1276387
1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(4-morpholin-4-ylphenyl)methanimine
CID 1280891
[2-methoxy-4-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 4-nitrobenzoate
CID 6961191
[4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-bromobenzoate
CID 6018653
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 4292329
2-[[4-(2-chlorobenzoyl)oxy-3-ethoxyphenyl]methylideneamino]benzoic acid
CID 11697520
[2-methoxy-4-[(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 3779097

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate?
The IUPAC name of [2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate (CID 1124788) is [2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate.
What is the SMILES notation for [2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate?
The canonical SMILES for [2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate is COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OC(=O)c1ccccc1Cl.
What is the InChIKey of [2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate?
The InChIKey is YEGCWHVQILKOSO-WPWMEQJKSA-N. The full InChI is InChI=1S/C25H23ClN2O4/c1-30-24-16-18(6-11-23(24)32-25(29)21-4-2-3-5-22(21)26)17-27-19-7-9-20(10-8-19)28-12-14-31-15-13-28/h2-11,16-17H,12-15H2,1H3/b27-17+.
What are the key properties of [2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate?
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate has a molecular weight of 450.92 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate is sourced from PubChem (CID 1124788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).