4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide

C16H14BrN3O2 — CID 5243186

IUPAC4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide
SMILESCC1Nc2ccccc2C(=O)N1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O2/c1-10-18-14-5-3-2-4-13(14)16(22)20(10)19-15(21)11-6-8-12(17)9-7-11/h2-10,18H,1H3,(H,19,21)
InChIKeyDVOFYKZZFGICMJ-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.01
Rot. Bonds2

About 4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide

4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide (PubChem CID 5243186) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide
PubChem CID5243186
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide
SMILESCC1Nc2ccccc2C(=O)N1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O2/c1-10-18-14-5-3-2-4-13(14)16(22)20(10)19-15(21)11-6-8-12(17)9-7-11/h2-10,18H,1H3,(H,19,21)
InChIKeyDVOFYKZZFGICMJ-UHFFFAOYSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide 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 4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide?
The IUPAC name of 4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide (CID 5243186) is 4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide?
The canonical SMILES for 4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide is CC1Nc2ccccc2C(=O)N1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide?
The InChIKey is DVOFYKZZFGICMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-10-18-14-5-3-2-4-13(14)16(22)20(10)19-15(21)11-6-8-12(17)9-7-11/h2-10,18H,1H3,(H,19,21).
What are the key properties of 4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide?
4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide has a molecular weight of 360.21 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)benzamide is sourced from PubChem (CID 5243186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).