N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C29H22ClN3O3 — CID 26368129

About N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 26368129) has the molecular formula C29H22ClN3O3 and a molecular weight of 495.97 g/mol. Its IUPAC name is N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
• PubChem CID: 26368129
• Molecular Formula: C29H22ClN3O3
• Molecular Weight: 495.97 g/mol
• Exact Mass: 495.13
• IUPAC Name: N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
• SMILES: O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cccc(OCc2ccccc2Cl)c1
• InChI: InChI=1S/C29H22ClN3O3/c30-25-13-4-1-9-21(25)19-36-22-10-7-8-20(16-22)17-31-32-28(34)18-33-26-14-5-2-11-23(26)29(35)24-12-3-6-15-27(24)33/h1-17H,18-19H2,(H,32,34)/b31-17-
• InChIKey: WWMIFSONGIXKEG-LJUMEUDFSA-N
• XLogP: 5.54
• TPSA: 72.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.97
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The IUPAC name of N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 26368129) is N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

What is the SMILES notation for N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The canonical SMILES for N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cccc(OCc2ccccc2Cl)c1.

What is the InChIKey of N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The InChIKey is WWMIFSONGIXKEG-LJUMEUDFSA-N. The full InChI is InChI=1S/C29H22ClN3O3/c30-25-13-4-1-9-21(25)19-36-22-10-7-8-20(16-22)17-31-32-28(34)18-33-26-14-5-2-11-23(26)29(35)24-12-3-6-15-27(24)33/h1-17H,18-19H2,(H,32,34)/b31-17-.

What are the key properties of N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 495.97 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 26368129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).