1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine

C21H19ClN2O2 — CID 1101607

IUPAC1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine
SMILESClc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1
InChIInChI=1S/C21H19ClN2O2/c22-17-3-1-16(2-4-17)21-10-9-20(26-21)15-23-18-5-7-19(8-6-18)24-11-13-25-14-12-24/h1-10,15H,11-14H2/b23-15+
InChIKeyIIOVXUQMCPZOPX-HZHRSRAPSA-N
MW366.85 g/mol
LogP5.19
Rot. Bonds4

About 1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine

1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 1101607) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID1101607
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine
SMILESClc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1
InChIInChI=1S/C21H19ClN2O2/c22-17-3-1-16(2-4-17)21-10-9-20(26-21)15-23-18-5-7-19(8-6-18)24-11-13-25-14-12-24/h1-10,15H,11-14H2/b23-15+
InChIKeyIIOVXUQMCPZOPX-HZHRSRAPSA-N
XLogP5.19
TPSA37.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine (CID 1101607) is 1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine is Clc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1.
What is the InChIKey of 1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is IIOVXUQMCPZOPX-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-17-3-1-16(2-4-17)21-10-9-20(26-21)15-23-18-5-7-19(8-6-18)24-11-13-25-14-12-24/h1-10,15H,11-14H2/b23-15+.
What are the key properties of 1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 366.85 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 1101607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).