2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one

C20H15FN2O2S — CID 1300759

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2cccc(F)c2)n1Cc1ccco1
InChIInChI=1S/C20H15FN2O2S/c21-15-6-3-5-14(11-15)13-26-20-22-18-9-2-1-8-17(18)19(24)23(20)12-16-7-4-10-25-16/h1-11H,12-13H2
InChIKeyPRNMYZHREGOFFE-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.47
Rot. Bonds5

About 2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one

2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one (PubChem CID 1300759) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
PubChem CID1300759
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2cccc(F)c2)n1Cc1ccco1
InChIInChI=1S/C20H15FN2O2S/c21-15-6-3-5-14(11-15)13-26-20-22-18-9-2-1-8-17(18)19(24)23(20)12-16-7-4-10-25-16/h1-11H,12-13H2
InChIKeyPRNMYZHREGOFFE-UHFFFAOYSA-N
XLogP4.47
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one (CID 1300759) is 2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one is O=c1c2ccccc2nc(SCc2cccc(F)c2)n1Cc1ccco1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
The InChIKey is PRNMYZHREGOFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c21-15-6-3-5-14(11-15)13-26-20-22-18-9-2-1-8-17(18)19(24)23(20)12-16-7-4-10-25-16/h1-11H,12-13H2.
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one?
2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one has a molecular weight of 366.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 1300759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).