N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C31H23ClN4O2 — CID 92847108

About N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 92847108) has the molecular formula C31H23ClN4O2 and a molecular weight of 519.00 g/mol. Its IUPAC name is N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
• PubChem CID: 92847108
• Molecular Formula: C31H23ClN4O2
• Molecular Weight: 519.00 g/mol
• Exact Mass: 518.15
• IUPAC Name: N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
• SMILES: O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12
• InChI: InChI=1S/C31H23ClN4O2/c32-23-15-13-21(14-16-23)18-35-19-22(24-7-1-4-10-27(24)35)17-33-34-30(37)20-36-28-11-5-2-8-25(28)31(38)26-9-3-6-12-29(26)36/h1-17,19H,18,20H2,(H,34,37)/b33-17-
• InChIKey: WLRGZZYKXVGSGY-FZPRHHONSA-N
• XLogP: 5.96
• TPSA: 68.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.00
LogP ≤ 5	5.96
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)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The IUPAC name of N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 92847108) is N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

What is the SMILES notation for N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The canonical SMILES for N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12.

What is the InChIKey of N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The InChIKey is WLRGZZYKXVGSGY-FZPRHHONSA-N. The full InChI is InChI=1S/C31H23ClN4O2/c32-23-15-13-21(14-16-23)18-35-19-22(24-7-1-4-10-27(24)35)17-33-34-30(37)20-36-28-11-5-2-8-25(28)31(38)26-9-3-6-12-29(26)36/h1-17,19H,18,20H2,(H,34,37)/b33-17-.

What are the key properties of N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 519.00 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 92847108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).