N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide

C24H22BrN3O4 — CID 18887465

IUPACN-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc(C2Nc3ccc(Br)cc3C(=O)N2NC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C24H22BrN3O4/c1-15-3-8-19(9-4-15)32-14-22(29)27-28-23(16-5-10-18(31-2)11-6-16)26-21-12-7-17(25)13-20(21)24(28)30/h3-13,23,26H,14H2,1-2H3,(H,27,29)
InChIKeyILJGFIOLJKTCSB-UHFFFAOYSA-N
MW496.36 g/mol
LogP4.44
Rot. Bonds6

About N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide

N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 18887465) has the molecular formula C24H22BrN3O4 and a molecular weight of 496.36 g/mol. Its IUPAC name is N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
PubChem CID18887465
Molecular FormulaC24H22BrN3O4
Molecular Weight496.36 g/mol
Exact Mass495.08
IUPAC NameN-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc(C2Nc3ccc(Br)cc3C(=O)N2NC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C24H22BrN3O4/c1-15-3-8-19(9-4-15)32-14-22(29)27-28-23(16-5-10-18(31-2)11-6-16)26-21-12-7-17(25)13-20(21)24(28)30/h3-13,23,26H,14H2,1-2H3,(H,27,29)
InChIKeyILJGFIOLJKTCSB-UHFFFAOYSA-N
XLogP4.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.36
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887057
2-(4-methylphenoxy)-N-[2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18886992
N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
CID 18887147
2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18887275
N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide
CID 18887355
N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887151
N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-phenoxyacetamide
CID 18886893
N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
CID 18887339
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide
CID 18887028
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18886967
N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 18887035
4-bromo-N-[6-chloro-2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 18886973

Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide (CID 18887465) is N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide is COc1ccc(C2Nc3ccc(Br)cc3C(=O)N2NC(=O)COc2ccc(C)cc2)cc1.
What is the InChIKey of N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is ILJGFIOLJKTCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O4/c1-15-3-8-19(9-4-15)32-14-22(29)27-28-23(16-5-10-18(31-2)11-6-16)26-21-12-7-17(25)13-20(21)24(28)30/h3-13,23,26H,14H2,1-2H3,(H,27,29).
What are the key properties of N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide?
N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 496.36 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 18887465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).