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

C24H18BrClN4O3 — CID 126307124

IUPAC2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide
SMILESCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H18BrClN4O3/c1-15-28-21-9-7-17(25)12-20(21)24(32)30(15)27-13-16-11-18(26)8-10-22(16)33-14-23(31)29-19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,29,31)
InChIKeyZBTNVDPWYCVDKW-UHFFFAOYSA-N
MW525.79 g/mol
LogP5.02
Rot. Bonds6

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

2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide (PubChem CID 126307124) has the molecular formula C24H18BrClN4O3 and a molecular weight of 525.79 g/mol. Its IUPAC name is 2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide
PubChem CID126307124
Molecular FormulaC24H18BrClN4O3
Molecular Weight525.79 g/mol
Exact Mass524.03
IUPAC Name2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide
SMILESCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H18BrClN4O3/c1-15-28-21-9-7-17(25)12-20(21)24(32)30(15)27-13-16-11-18(26)8-10-22(16)33-14-23(31)29-19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,29,31)
InChIKeyZBTNVDPWYCVDKW-UHFFFAOYSA-N
XLogP5.02
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.79
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(6-bromo-4-oxo-2-propan-2-ylquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide
CID 126283714
2-[5-bromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 126300460
N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide
CID 126301306
2-[4-bromo-2-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126313098
2-[2-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-(4-fluorophenyl)acetamide
CID 126284565
2-[2-[(6-bromo-4-oxo-2-propan-2-ylquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-(3-fluorophenyl)acetamide
CID 126295929
2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(4-fluorophenyl)acetamide
CID 126283804
2-[1-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxy-N-(4-fluorophenyl)acetamide
CID 126290453
2-[2-[[2-(5-bromo-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide
CID 126296530
2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-nitrophenoxy]-N-(4-chlorophenyl)acetamide
CID 126283997
2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-chlorophenoxy]-N-(2-methylphenyl)acetamide
CID 126313108
2-[2-bromo-6-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-(2-methylphenyl)acetamide
CID 126299987

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide (CID 126307124) is 2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide is Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide?
The InChIKey is ZBTNVDPWYCVDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrClN4O3/c1-15-28-21-9-7-17(25)12-20(21)24(32)30(15)27-13-16-11-18(26)8-10-22(16)33-14-23(31)29-19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,29,31).
What are the key properties of 2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide?
2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide has a molecular weight of 525.79 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chlorophenoxy]-N-phenylacetamide is sourced from PubChem (CID 126307124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).