2-acetyl-8-bromo-3-methylquinazolin-4-one

C11H9BrN2O2 — CID 84812020

IUPAC2-acetyl-8-bromo-3-methylquinazolin-4-one
SMILESCC(=O)c1nc2c(Br)cccc2c(=O)n1C
InChIInChI=1S/C11H9BrN2O2/c1-6(15)10-13-9-7(11(16)14(10)2)4-3-5-8(9)12/h3-5H,1-2H3
InChIKeyDBYALZJZOJDNDU-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.90
Rot. Bonds1

About 2-acetyl-8-bromo-3-methylquinazolin-4-one

2-acetyl-8-bromo-3-methylquinazolin-4-one (PubChem CID 84812020) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 2-acetyl-8-bromo-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-acetyl-8-bromo-3-methylquinazolin-4-one
PubChem CID84812020
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name2-acetyl-8-bromo-3-methylquinazolin-4-one
SMILESCC(=O)c1nc2c(Br)cccc2c(=O)n1C
InChIInChI=1S/C11H9BrN2O2/c1-6(15)10-13-9-7(11(16)14(10)2)4-3-5-8(9)12/h3-5H,1-2H3
InChIKeyDBYALZJZOJDNDU-UHFFFAOYSA-N
XLogP1.90
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-acetyl-8-bromo-3-methylquinazolin-4-one 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

8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one
CID 90004402
2-acetyl-3,7-dimethylquinazolin-4-one
CID 84784682
N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide
CID 135742304
1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one
CID 83866935
8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one
CID 170753477
3-acetyl-8-bromo-1-methylquinolin-4-one
CID 86732744
8-bromo-2-chloro-3-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-one
CID 170744319
2-(7-bromo-3-methylindazol-2-yl)acetic acid
CID 84729976
3,8-dimethyl-2-methylsulfinylquinazolin-4-one
CID 123728999
8-bromo-3-(2-hydroxypropyl)quinazolin-4-one
CID 117264522
9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67485495
8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid
CID 165474870

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-8-bromo-3-methylquinazolin-4-one?
The IUPAC name of 2-acetyl-8-bromo-3-methylquinazolin-4-one (CID 84812020) is 2-acetyl-8-bromo-3-methylquinazolin-4-one.
What is the SMILES notation for 2-acetyl-8-bromo-3-methylquinazolin-4-one?
The canonical SMILES for 2-acetyl-8-bromo-3-methylquinazolin-4-one is CC(=O)c1nc2c(Br)cccc2c(=O)n1C.
What is the InChIKey of 2-acetyl-8-bromo-3-methylquinazolin-4-one?
The InChIKey is DBYALZJZOJDNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-6(15)10-13-9-7(11(16)14(10)2)4-3-5-8(9)12/h3-5H,1-2H3.
What are the key properties of 2-acetyl-8-bromo-3-methylquinazolin-4-one?
2-acetyl-8-bromo-3-methylquinazolin-4-one has a molecular weight of 281.11 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-8-bromo-3-methylquinazolin-4-one is sourced from PubChem (CID 84812020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).