N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide

C17H15BrClN3O3 — CID 18887355

IUPACN-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide
SMILESCC1Nc2ccc(Br)cc2C(=O)N1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H15BrClN3O3/c1-10-20-15-7-2-11(18)8-14(15)17(24)22(10)21-16(23)9-25-13-5-3-12(19)4-6-13/h2-8,10,20H,9H2,1H3,(H,21,23)
InChIKeyLFVPIGBEBPEPLZ-UHFFFAOYSA-N
MW424.68 g/mol
LogP3.43
Rot. Bonds4

About N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide

N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide (PubChem CID 18887355) has the molecular formula C17H15BrClN3O3 and a molecular weight of 424.68 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide
PubChem CID18887355
Molecular FormulaC17H15BrClN3O3
Molecular Weight424.68 g/mol
Exact Mass423.00
IUPAC NameN-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide
SMILESCC1Nc2ccc(Br)cc2C(=O)N1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H15BrClN3O3/c1-10-20-15-7-2-11(18)8-14(15)17(24)22(10)21-16(23)9-25-13-5-3-12(19)4-6-13/h2-8,10,20H,9H2,1H3,(H,21,23)
InChIKeyLFVPIGBEBPEPLZ-UHFFFAOYSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.68
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18887275
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887057
N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
CID 18887465
N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887151
N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
CID 18887039
N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
CID 18887147
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide
CID 18887028
N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 18887035
2-(4-methylphenoxy)-N-[2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18886992
N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-phenoxyacetamide
CID 18886893
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18886967
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 17189052

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide (CID 18887355) is N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide is CC1Nc2ccc(Br)cc2C(=O)N1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is LFVPIGBEBPEPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O3/c1-10-20-15-7-2-11(18)8-14(15)17(24)22(10)21-16(23)9-25-13-5-3-12(19)4-6-13/h2-8,10,20H,9H2,1H3,(H,21,23).
What are the key properties of N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide?
N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 424.68 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 18887355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).