6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one

C16H13BrN2O2S — CID 2981621

IUPAC6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
SMILESCOc1cccc(-n2c(SC)nc3ccc(Br)cc3c2=O)c1
InChIInChI=1S/C16H13BrN2O2S/c1-21-12-5-3-4-11(9-12)19-15(20)13-8-10(17)6-7-14(13)18-16(19)22-2/h3-9H,1-2H3
InChIKeyMCMMYLHOFOBSHC-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.88
Rot. Bonds3

About 6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one

6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one (PubChem CID 2981621) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is 6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
PubChem CID2981621
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC Name6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
SMILESCOc1cccc(-n2c(SC)nc3ccc(Br)cc3c2=O)c1
InChIInChI=1S/C16H13BrN2O2S/c1-21-12-5-3-4-11(9-12)19-15(20)13-8-10(17)6-7-14(13)18-16(19)22-2/h3-9H,1-2H3
InChIKeyMCMMYLHOFOBSHC-UHFFFAOYSA-N
XLogP3.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-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

2-[2-(3-bromophenoxy)ethylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 3880310
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 714917
6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 24577737
6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one
CID 2222928
3-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 8921562
2-[(E)-2-(3-bromophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
CID 6238237
6-bromo-2-methylsulfanyl-3-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)quinazolin-4-one
CID 89060115
6-bromo-2-(2-ethoxyethylsulfanyl)-3-phenylquinazolin-4-one
CID 7876774
2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
CID 67982185
6-bromo-3-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 6456841
3-(3-methoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7507145

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one?
The IUPAC name of 6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one (CID 2981621) is 6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one is COc1cccc(-n2c(SC)nc3ccc(Br)cc3c2=O)c1.
What is the InChIKey of 6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one?
The InChIKey is MCMMYLHOFOBSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-21-12-5-3-4-11(9-12)19-15(20)13-8-10(17)6-7-14(13)18-16(19)22-2/h3-9H,1-2H3.
What are the key properties of 6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one?
6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one has a molecular weight of 377.26 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one is sourced from PubChem (CID 2981621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).