N-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide

C17H12Br2ClN3O2 — CID 164627195

IUPACN-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2c(Br)cc(Br)cc2c(=O)n1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H12Br2ClN3O2/c1-9-21-16-13(6-10(18)7-14(16)19)17(25)23(9)8-15(24)22-12-4-2-11(20)3-5-12/h2-7H,8H2,1H3,(H,22,24)
InChIKeyNQHXSJZWJMBUKM-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.52
Rot. Bonds3

About N-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide

N-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 164627195) has the molecular formula C17H12Br2ClN3O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID164627195
Molecular FormulaC17H12Br2ClN3O2
Molecular Weight485.56 g/mol
Exact Mass482.90
IUPAC NameN-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2c(Br)cc(Br)cc2c(=O)n1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H12Br2ClN3O2/c1-9-21-16-13(6-10(18)7-14(16)19)17(25)23(9)8-15(24)22-12-4-2-11(20)3-5-12/h2-7H,8H2,1H3,(H,22,24)
InChIKeyNQHXSJZWJMBUKM-UHFFFAOYSA-N
XLogP4.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 164627195) is N-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1nc2c(Br)cc(Br)cc2c(=O)n1CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is NQHXSJZWJMBUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2ClN3O2/c1-9-21-16-13(6-10(18)7-14(16)19)17(25)23(9)8-15(24)22-12-4-2-11(20)3-5-12/h2-7H,8H2,1H3,(H,22,24).
What are the key properties of N-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 485.56 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 164627195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).