3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one

C17H12BrN3OS — CID 56839877

IUPAC3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1-c1nc2ccc(Br)cc2s1
InChIInChI=1S/C17H12BrN3OS/c1-2-15-19-12-6-4-3-5-11(12)16(22)21(15)17-20-13-8-7-10(18)9-14(13)23-17/h3-9H,2H2,1H3
InChIKeyQEAUFQQCURQADO-UHFFFAOYSA-N
MW386.27 g/mol
LogP4.32
Rot. Bonds2

About 3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one

3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one (PubChem CID 56839877) has the molecular formula C17H12BrN3OS and a molecular weight of 386.27 g/mol. Its IUPAC name is 3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one.

Molecular Properties

Compound Name3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one
PubChem CID56839877
Molecular FormulaC17H12BrN3OS
Molecular Weight386.27 g/mol
Exact Mass384.99
IUPAC Name3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1-c1nc2ccc(Br)cc2s1
InChIInChI=1S/C17H12BrN3OS/c1-2-15-19-12-6-4-3-5-11(12)16(22)21(15)17-20-13-8-7-10(18)9-14(13)23-17/h3-9H,2H2,1H3
InChIKeyQEAUFQQCURQADO-UHFFFAOYSA-N
XLogP4.32
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-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

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one?
The IUPAC name of 3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one (CID 56839877) is 3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one.
What is the SMILES notation for 3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one?
The canonical SMILES for 3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one is CCc1nc2ccccc2c(=O)n1-c1nc2ccc(Br)cc2s1.
What is the InChIKey of 3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one?
The InChIKey is QEAUFQQCURQADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3OS/c1-2-15-19-12-6-4-3-5-11(12)16(22)21(15)17-20-13-8-7-10(18)9-14(13)23-17/h3-9H,2H2,1H3.
What are the key properties of 3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one?
3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one has a molecular weight of 386.27 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1,3-benzothiazol-2-yl)-2-ethylquinazolin-4-one is sourced from PubChem (CID 56839877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).