1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol

C17H16N2OS — CID 118736467

IUPAC1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol
SMILESCSc1ccc(C(C)(O)c2ncnc3ccccc23)cc1
InChIInChI=1S/C17H16N2OS/c1-17(20,12-7-9-13(21-2)10-8-12)16-14-5-3-4-6-15(14)18-11-19-16/h3-11,20H,1-2H3
InChIKeyPZDQDEHMDINNMB-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.61
Rot. Bonds3

About 1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol

1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol (PubChem CID 118736467) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol
PubChem CID118736467
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol
SMILESCSc1ccc(C(C)(O)c2ncnc3ccccc23)cc1
InChIInChI=1S/C17H16N2OS/c1-17(20,12-7-9-13(21-2)10-8-12)16-14-5-3-4-6-15(14)18-11-19-16/h3-11,20H,1-2H3
InChIKeyPZDQDEHMDINNMB-UHFFFAOYSA-N
XLogP3.61
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol?
The IUPAC name of 1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol (CID 118736467) is 1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol is CSc1ccc(C(C)(O)c2ncnc3ccccc23)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol?
The InChIKey is PZDQDEHMDINNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-17(20,12-7-9-13(21-2)10-8-12)16-14-5-3-4-6-15(14)18-11-19-16/h3-11,20H,1-2H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol?
1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol has a molecular weight of 296.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-1-quinazolin-4-ylethanol is sourced from PubChem (CID 118736467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).