2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide

C19H16BrCl2N3O2 — CID 55719138

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C19H16BrCl2N3O2/c1-11(14-5-4-13(21)8-16(14)22)24(2)18(26)9-25-10-23-17-6-3-12(20)7-15(17)19(25)27/h3-8,10-11H,9H2,1-2H3
InChIKeyCPVHODRJMCEEPH-UHFFFAOYSA-N
MW469.17 g/mol
LogP4.69
Rot. Bonds4

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide (PubChem CID 55719138) has the molecular formula C19H16BrCl2N3O2 and a molecular weight of 469.17 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
PubChem CID55719138
Molecular FormulaC19H16BrCl2N3O2
Molecular Weight469.17 g/mol
Exact Mass466.98
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C19H16BrCl2N3O2/c1-11(14-5-4-13(21)8-16(14)22)24(2)18(26)9-25-10-23-17-6-3-12(20)7-15(17)19(25)27/h3-8,10-11H,9H2,1-2H3
InChIKeyCPVHODRJMCEEPH-UHFFFAOYSA-N
XLogP4.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.17
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide 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

6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 3290687
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 55379284
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217
2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 55881851
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-cyclopropylamino]propanoic acid
CID 122067087
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
CID 134004048
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51951419
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 56745247
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide
CID 55571699
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide (CID 55719138) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)Cn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide?
The InChIKey is CPVHODRJMCEEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrCl2N3O2/c1-11(14-5-4-13(21)8-16(14)22)24(2)18(26)9-25-10-23-17-6-3-12(20)7-15(17)19(25)27/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide has a molecular weight of 469.17 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 55719138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).