N-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide

C25H16ClN5O2 — CID 127026672

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(N/N=C/c1ccccc1Cl)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1
InChIInChI=1S/C25H16ClN5O2/c26-21-6-2-1-4-20(21)15-28-29-23(32)16-7-9-17(10-8-16)24-30-31-25(33-24)19-11-12-22-18(14-19)5-3-13-27-22/h1-15H,(H,29,32)/b28-15+
InChIKeyPHAQEMFEGLRHQM-RWPZCVJISA-N
MW453.89 g/mol
LogP5.37
Rot. Bonds5

About N-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide

N-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 127026672) has the molecular formula C25H16ClN5O2 and a molecular weight of 453.89 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID127026672
Molecular FormulaC25H16ClN5O2
Molecular Weight453.89 g/mol
Exact Mass453.10
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(N/N=C/c1ccccc1Cl)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1
InChIInChI=1S/C25H16ClN5O2/c26-21-6-2-1-4-20(21)15-28-29-23(32)16-7-9-17(10-8-16)24-30-31-25(33-24)19-11-12-22-18(14-19)5-3-13-27-22/h1-15H,(H,29,32)/b28-15+
InChIKeyPHAQEMFEGLRHQM-RWPZCVJISA-N
XLogP5.37
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.89
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole
CID 141760521
N-(5-Fluoro-2-methylphenyl)-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162160
N-(4-Fluoro-2-methylphenyl)-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162177
N-[2-(4-Chlorophenyl)ethyl]-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162193
Neuraminidase-IN-17
CID 168866591
N-(4-chlorobenzyl)-2-(5-(quinolin-6-yl)-1,3,4-oxadiazol-2-yl)acetamide
CID 49666526
2-({4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}methyl)-3-(4-ethylphenyl)-3H-imidazo[4,5-b]pyridine
CID 49666528
N-(3-Fluorophenyl)-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162141
N-(2-Fluorophenyl)-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162142
N-(4-Fluorophenyl)-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162143
2-[5-(Quinolin-6-YL)-1,3,4-oxadiazol-2-YL]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 53162144
N-(3-Fluoro-4-methylphenyl)-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162154

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 127026672) is N-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(N/N=C/c1ccccc1Cl)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is PHAQEMFEGLRHQM-RWPZCVJISA-N. The full InChI is InChI=1S/C25H16ClN5O2/c26-21-6-2-1-4-20(21)15-28-29-23(32)16-7-9-17(10-8-16)24-30-31-25(33-24)19-11-12-22-18(14-19)5-3-13-27-22/h1-15H,(H,29,32)/b28-15+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 453.89 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-4-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 127026672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).