2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one

C20H18N4O2S — CID 135687416

IUPAC2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
SMILESCOc1ccc(-n2ccnc2SCc2nc3c(C)cccc3c(=O)[nH]2)cc1
InChIInChI=1S/C20H18N4O2S/c1-13-4-3-5-16-18(13)22-17(23-19(16)25)12-27-20-21-10-11-24(20)14-6-8-15(26-2)9-7-14/h3-11H,12H2,1-2H3,(H,22,23,25)
InChIKeyXOCSIJNKPJFMBR-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.72
Rot. Bonds5

About 2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one

2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one (PubChem CID 135687416) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
PubChem CID135687416
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
SMILESCOc1ccc(-n2ccnc2SCc2nc3c(C)cccc3c(=O)[nH]2)cc1
InChIInChI=1S/C20H18N4O2S/c1-13-4-3-5-16-18(13)22-17(23-19(16)25)12-27-20-21-10-11-24(20)14-6-8-15(26-2)9-7-14/h3-11H,12H2,1-2H3,(H,22,23,25)
InChIKeyXOCSIJNKPJFMBR-UHFFFAOYSA-N
XLogP3.72
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-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-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135957127
2-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 16560734
2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135858474
2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 135700024
5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 31057163
2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
CID 135726664
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 135566578
8-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135739677
methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 46517108
3-(3-hydroxypropyl)-2-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one
CID 135992436
N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 41473322
8-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135799504

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one (CID 135687416) is 2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one is COc1ccc(-n2ccnc2SCc2nc3c(C)cccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one?
The InChIKey is XOCSIJNKPJFMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-13-4-3-5-16-18(13)22-17(23-19(16)25)12-27-20-21-10-11-24(20)14-6-8-15(26-2)9-7-14/h3-11H,12H2,1-2H3,(H,22,23,25).
What are the key properties of 2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one?
2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one has a molecular weight of 378.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135687416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).