4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline

C16H13FN2OS — CID 9323597

IUPAC4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline
SMILESCOc1ccc(F)cc1CSc1ncnc2ccccc12
InChIInChI=1S/C16H13FN2OS/c1-20-15-7-6-12(17)8-11(15)9-21-16-13-4-2-3-5-14(13)18-10-19-16/h2-8,10H,9H2,1H3
InChIKeyUWSDVYLCFAUIBZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.07
Rot. Bonds4

About 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline

4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline (PubChem CID 9323597) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline.

Molecular Properties

Compound Name4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline
PubChem CID9323597
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline
SMILESCOc1ccc(F)cc1CSc1ncnc2ccccc12
InChIInChI=1S/C16H13FN2OS/c1-20-15-7-6-12(17)8-11(15)9-21-16-13-4-2-3-5-14(13)18-10-19-16/h2-8,10H,9H2,1H3
InChIKeyUWSDVYLCFAUIBZ-UHFFFAOYSA-N
XLogP4.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline?
The IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline (CID 9323597) is 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline.
What is the SMILES notation for 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline?
The canonical SMILES for 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline is COc1ccc(F)cc1CSc1ncnc2ccccc12.
What is the InChIKey of 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline?
The InChIKey is UWSDVYLCFAUIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-20-15-7-6-12(17)8-11(15)9-21-16-13-4-2-3-5-14(13)18-10-19-16/h2-8,10H,9H2,1H3.
What are the key properties of 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline?
4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline has a molecular weight of 300.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]quinazoline is sourced from PubChem (CID 9323597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).