1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol

C18H18N2O2S — CID 118736457

IUPAC1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol
SMILESCOc1ccc(C(C)(O)c2nc(SC)nc3ccccc23)cc1
InChIInChI=1S/C18H18N2O2S/c1-18(21,12-8-10-13(22-2)11-9-12)16-14-6-4-5-7-15(14)19-17(20-16)23-3/h4-11,21H,1-3H3
InChIKeyWAAFWWROLANEMR-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.62
Rot. Bonds4

About 1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol

1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol (PubChem CID 118736457) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol
PubChem CID118736457
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol
SMILESCOc1ccc(C(C)(O)c2nc(SC)nc3ccccc23)cc1
InChIInChI=1S/C18H18N2O2S/c1-18(21,12-8-10-13(22-2)11-9-12)16-14-6-4-5-7-15(14)19-17(20-16)23-3/h4-11,21H,1-3H3
InChIKeyWAAFWWROLANEMR-UHFFFAOYSA-N
XLogP3.62
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol 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 1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol (CID 118736457) is 1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol is COc1ccc(C(C)(O)c2nc(SC)nc3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol?
The InChIKey is WAAFWWROLANEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-18(21,12-8-10-13(22-2)11-9-12)16-14-6-4-5-7-15(14)19-17(20-16)23-3/h4-11,21H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol?
1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol has a molecular weight of 326.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-(2-methylsulfanylquinazolin-4-yl)ethanol is sourced from PubChem (CID 118736457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).