(1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol

C16H13FN2OS — CID 63835579

IUPAC(1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol
SMILESC[C@@H](O)c1ccc(Sc2ncnc3ccccc23)c(F)c1
InChIInChI=1S/C16H13FN2OS/c1-10(20)11-6-7-15(13(17)8-11)21-16-12-4-2-3-5-14(12)18-9-19-16/h2-10,20H,1H3/t10-/m1/s1
InChIKeyKXYXPRWQWRXKJU-SNVBAGLBSA-N
MW300.36 g/mol
LogP3.97
Rot. Bonds3

About (1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol

(1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol (PubChem CID 63835579) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol
PubChem CID63835579
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name(1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol
SMILESC[C@@H](O)c1ccc(Sc2ncnc3ccccc23)c(F)c1
InChIInChI=1S/C16H13FN2OS/c1-10(20)11-6-7-15(13(17)8-11)21-16-12-4-2-3-5-14(12)18-9-19-16/h2-10,20H,1H3/t10-/m1/s1
InChIKeyKXYXPRWQWRXKJU-SNVBAGLBSA-N
XLogP3.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol?
The IUPAC name of (1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol (CID 63835579) is (1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol?
The canonical SMILES for (1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol is C[C@@H](O)c1ccc(Sc2ncnc3ccccc23)c(F)c1.
What is the InChIKey of (1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol?
The InChIKey is KXYXPRWQWRXKJU-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-10(20)11-6-7-15(13(17)8-11)21-16-12-4-2-3-5-14(12)18-9-19-16/h2-10,20H,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol?
(1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol has a molecular weight of 300.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 63835579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).