2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide

C24H17BrClFN4O3 — CID 126283804

IUPAC2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide
SMILESCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C24H17BrClFN4O3/c1-14-29-21-8-3-16(25)11-19(21)24(33)31(14)28-12-15-2-9-22(20(26)10-15)34-13-23(32)30-18-6-4-17(27)5-7-18/h2-12H,13H2,1H3,(H,30,32)
InChIKeyBLCGTGJEGYRNMP-UHFFFAOYSA-N
MW543.78 g/mol
LogP5.16
Rot. Bonds6

About 2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide

2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 126283804) has the molecular formula C24H17BrClFN4O3 and a molecular weight of 543.78 g/mol. Its IUPAC name is 2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID126283804
Molecular FormulaC24H17BrClFN4O3
Molecular Weight543.78 g/mol
Exact Mass542.02
IUPAC Name2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide
SMILESCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C24H17BrClFN4O3/c1-14-29-21-8-3-16(25)11-19(21)24(33)31(14)28-12-15-2-9-22(20(26)10-15)34-13-23(32)30-18-6-4-17(27)5-7-18/h2-12H,13H2,1H3,(H,30,32)
InChIKeyBLCGTGJEGYRNMP-UHFFFAOYSA-N
XLogP5.16
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.78
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide 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-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(2-methylphenyl)acetamide
CID 126313108
2-[1-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(4-fluorophenyl)acetamide
CID 126290453
2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-5-(dimethylamino)phenoxy]-N-(4-fluorophenyl)acetamide
CID 126291747
2-[2-bromo-4-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126327502
2-[4-[(6-bromo-2-butyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 126319746
2-[3-bromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chloro-6-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126296773
N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide
CID 126301306
2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide
CID 126307124
2-[2-bromo-4-[(6-bromo-4-oxo-2-propan-2-ylquinazolin-3-yl)iminomethyl]-6-chlorophenoxy]-N-(4-fluorophenyl)acetamide
CID 126295876
6-bromo-3-[(3-chloro-4-prop-2-enoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126286165
2-[4-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chloro-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126288301
2-[2-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-(4-fluorophenyl)acetamide
CID 126284565

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide (CID 126283804) is 2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide is Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is BLCGTGJEGYRNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrClFN4O3/c1-14-29-21-8-3-16(25)11-19(21)24(33)31(14)28-12-15-2-9-22(20(26)10-15)34-13-23(32)30-18-6-4-17(27)5-7-18/h2-12H,13H2,1H3,(H,30,32).
What are the key properties of 2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide?
2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 543.78 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 126283804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).