2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one

C18H18N2O3S — CID 34436853

IUPAC2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one
SMILESCOc1ccc(OC)c(CSc2nc3ccccc3c(=O)n2C)c1
InChIInChI=1S/C18H18N2O3S/c1-20-17(21)14-6-4-5-7-15(14)19-18(20)24-11-12-10-13(22-2)8-9-16(12)23-3/h4-10H,11H2,1-3H3
InChIKeyZTLRYLWVUGCTQY-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.24
Rot. Bonds5

About 2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one

2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one (PubChem CID 34436853) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one
PubChem CID34436853
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one
SMILESCOc1ccc(OC)c(CSc2nc3ccccc3c(=O)n2C)c1
InChIInChI=1S/C18H18N2O3S/c1-20-17(21)14-6-4-5-7-15(14)19-18(20)24-11-12-10-13(22-2)8-9-16(12)23-3/h4-10H,11H2,1-3H3
InChIKeyZTLRYLWVUGCTQY-UHFFFAOYSA-N
XLogP3.24
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 8581817
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 18192132
3-(2,5-dimethoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 51365500
3-(2,5-dimethoxyphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365481
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 18081752
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 35056184
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 8947099
2-[(2,3-difluorophenyl)methylsulfanyl]-3-methylquinazolin-4-one
CID 18099673
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one
CID 4200726
3-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365479
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-cyclohexylquinazolin-4-one
CID 4596643
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34436819

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one (CID 34436853) is 2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one is COc1ccc(OC)c(CSc2nc3ccccc3c(=O)n2C)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one?
The InChIKey is ZTLRYLWVUGCTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-20-17(21)14-6-4-5-7-15(14)19-18(20)24-11-12-10-13(22-2)8-9-16(12)23-3/h4-10H,11H2,1-3H3.
What are the key properties of 2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one?
2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one has a molecular weight of 342.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 34436853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).