2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol

C16H13FN2OS — CID 3167738

IUPAC2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol
SMILESOCCSc1nc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C16H13FN2OS/c17-12-6-7-14-13(10-12)16(21-9-8-20)19-15(18-14)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2
InChIKeyFQPVPQYLGZXJOD-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.52
Rot. Bonds4

About 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol

2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol (PubChem CID 3167738) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol
PubChem CID3167738
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol
SMILESOCCSc1nc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C16H13FN2OS/c17-12-6-7-14-13(10-12)16(21-9-8-20)19-15(18-14)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2
InChIKeyFQPVPQYLGZXJOD-UHFFFAOYSA-N
XLogP3.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol?
The IUPAC name of 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol (CID 3167738) is 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol is OCCSc1nc(-c2ccccc2)nc2ccc(F)cc12.
What is the InChIKey of 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol?
The InChIKey is FQPVPQYLGZXJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c17-12-6-7-14-13(10-12)16(21-9-8-20)19-15(18-14)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2.
What are the key properties of 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol?
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol has a molecular weight of 300.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylethanol is sourced from PubChem (CID 3167738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).