N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide

C24H16Br3ClN4O3 — CID 126301306

About N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide

N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide (PubChem CID 126301306) has the molecular formula C24H16Br3ClN4O3 and a molecular weight of 683.58 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide
• PubChem CID: 126301306
• Molecular Formula: C24H16Br3ClN4O3
• Molecular Weight: 683.58 g/mol
• Exact Mass: 679.85
• IUPAC Name: N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide
• SMILES: Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1
• InChI: InChI=1S/C24H16Br3ClN4O3/c1-13-30-21-7-2-15(25)10-18(21)24(34)32(13)29-11-14-8-19(26)23(20(27)9-14)35-12-22(33)31-17-5-3-16(28)4-6-17/h2-11H,12H2,1H3,(H,31,33)
• InChIKey: CYDWFXJMKANXES-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 85.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.58
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide (CID 126301306) is N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide is Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1.

What is the InChIKey of N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide?

The InChIKey is CYDWFXJMKANXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br3ClN4O3/c1-13-30-21-7-2-15(25)10-18(21)24(34)32(13)29-11-14-8-19(26)23(20(27)9-14)35-12-22(33)31-17-5-3-16(28)4-6-17/h2-11H,12H2,1H3,(H,31,33).

What are the key properties of N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide?

N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide has a molecular weight of 683.58 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide is sourced from PubChem (CID 126301306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).