N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide

C25H23Cl2N3O3 — CID 18887151

IUPACN-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
SMILESCC(C)c1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23Cl2N3O3/c1-15(2)16-3-5-17(6-4-16)24-28-22-12-9-19(27)13-21(22)25(32)30(24)29-23(31)14-33-20-10-7-18(26)8-11-20/h3-13,15,24,28H,14H2,1-2H3,(H,29,31)
InChIKeyBJIZHVIWDSIUBW-UHFFFAOYSA-N
MW484.38 g/mol
LogP5.79
Rot. Bonds6

About N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide

N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide (PubChem CID 18887151) has the molecular formula C25H23Cl2N3O3 and a molecular weight of 484.38 g/mol. Its IUPAC name is N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
PubChem CID18887151
Molecular FormulaC25H23Cl2N3O3
Molecular Weight484.38 g/mol
Exact Mass483.11
IUPAC NameN-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
SMILESCC(C)c1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23Cl2N3O3/c1-15(2)16-3-5-17(6-4-16)24-28-22-12-9-19(27)13-21(22)25(32)30(24)29-23(31)14-33-20-10-7-18(26)8-11-20/h3-13,15,24,28H,14H2,1-2H3,(H,29,31)
InChIKeyBJIZHVIWDSIUBW-UHFFFAOYSA-N
XLogP5.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.38
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
CID 18887147
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887057
N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
CID 18887039
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
N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide
CID 18887355
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18886967
N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
CID 18887047
2-(4-methylphenoxy)-N-[2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18886992
N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
CID 18887465
N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
CID 18887273
N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-phenoxyacetamide
CID 18886893

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide (CID 18887151) is N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide is CC(C)c1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is BJIZHVIWDSIUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O3/c1-15(2)16-3-5-17(6-4-16)24-28-22-12-9-19(27)13-21(22)25(32)30(24)29-23(31)14-33-20-10-7-18(26)8-11-20/h3-13,15,24,28H,14H2,1-2H3,(H,29,31).
What are the key properties of N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide?
N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 484.38 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 18887151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).