6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one

C17H15BrClN3O2S — CID 118043026

IUPAC6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one
SMILESCCS(=O)c1ccc(Cl)cc1Nn1cnc2cc(C)c(Br)cc2c1=O
InChIInChI=1S/C17H15BrClN3O2S/c1-3-25(24)16-5-4-11(19)7-15(16)21-22-9-20-14-6-10(2)13(18)8-12(14)17(22)23/h4-9,21H,3H2,1-2H3
InChIKeyYFSBPIJFGZZBAD-UHFFFAOYSA-N
MW440.75 g/mol
LogP4.12
Rot. Bonds4

About 6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one

6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one (PubChem CID 118043026) has the molecular formula C17H15BrClN3O2S and a molecular weight of 440.75 g/mol. Its IUPAC name is 6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one
PubChem CID118043026
Molecular FormulaC17H15BrClN3O2S
Molecular Weight440.75 g/mol
Exact Mass438.98
IUPAC Name6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one
SMILESCCS(=O)c1ccc(Cl)cc1Nn1cnc2cc(C)c(Br)cc2c1=O
InChIInChI=1S/C17H15BrClN3O2S/c1-3-25(24)16-5-4-11(19)7-15(16)21-22-9-20-14-6-10(2)13(18)8-12(14)17(22)23/h4-9,21H,3H2,1-2H3
InChIKeyYFSBPIJFGZZBAD-UHFFFAOYSA-N
XLogP4.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.75
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-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

7-bromo-3-(5-chloro-2-ethylsulfinylanilino)-6-(difluoromethyl)quinazolin-4-one
CID 122519001
6-amino-3-(5-chloro-2-ethylsulfinylanilino)quinazolin-4-one
CID 144834145
6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-[(4-methylsulfanylpiperazin-1-yl)methyl]quinazolin-4-one
CID 144834082
8-bromo-3-[2-ethylsulfinyl-5-(trifluoromethyl)anilino]-6-(trifluoromethyl)quinazolin-4-one
CID 144834133
8-bromo-3-(2-ethylsulfinyl-5-fluoroanilino)-6-(trifluoromethyl)quinazolin-4-one
CID 144834186
6-bromo-3-(5-chloro-2-ethylsulfonylanilino)-7-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]quinazolin-4-one
CID 122505082
6-bromo-3-(5-chloro-2-ethylsulfonylanilino)-7-[[4-(1,3-dihydroxypropan-2-yl)piperazin-1-yl]methyl]quinazolin-4-one
CID 122519003
8-bromo-3-(5-chloro-2-methylsulfanylanilino)-6-methylquinazolin-4-one
CID 118042790
3-(5-chloro-2-ethylsulfonylanilino)-6-propylquinazolin-4-one
CID 122504880
8-bromo-3-(5-chloro-2-propan-2-ylsulfanylanilino)-6-(trifluoromethyl)quinazolin-4-one
CID 144834164
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one?
The IUPAC name of 6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one (CID 118043026) is 6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one is CCS(=O)c1ccc(Cl)cc1Nn1cnc2cc(C)c(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one?
The InChIKey is YFSBPIJFGZZBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O2S/c1-3-25(24)16-5-4-11(19)7-15(16)21-22-9-20-14-6-10(2)13(18)8-12(14)17(22)23/h4-9,21H,3H2,1-2H3.
What are the key properties of 6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one?
6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one has a molecular weight of 440.75 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(5-chloro-2-ethylsulfinylanilino)-7-methylquinazolin-4-one is sourced from PubChem (CID 118043026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).