3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one

C17H15FN2OS2 — CID 7846354

IUPAC3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
SMILESCSCCSc1nc2ccccc2c(=O)n1-c1ccccc1F
InChIInChI=1S/C17H15FN2OS2/c1-22-10-11-23-17-19-14-8-4-2-6-12(14)16(21)20(17)15-9-5-3-7-13(15)18/h2-9H,10-11H2,1H3
InChIKeyYIDXNWWMXROLLC-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.98
Rot. Bonds5

About 3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one

3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one (PubChem CID 7846354) has the molecular formula C17H15FN2OS2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
PubChem CID7846354
Molecular FormulaC17H15FN2OS2
Molecular Weight346.45 g/mol
Exact Mass346.06
IUPAC Name3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
SMILESCSCCSc1nc2ccccc2c(=O)n1-c1ccccc1F
InChIInChI=1S/C17H15FN2OS2/c1-22-10-11-23-17-19-14-8-4-2-6-12(14)16(21)20(17)15-9-5-3-7-13(15)18/h2-9H,10-11H2,1H3
InChIKeyYIDXNWWMXROLLC-UHFFFAOYSA-N
XLogP3.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 8873721
3-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylpropane-1-sulfonamide
CID 56568154
N,N-diethyl-4-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide
CID 8873760
N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2696020
3-(2-methoxy-5-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 9329464
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(2-methylpropyl)acetamide
CID 3988661
N-butyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2696019
N-(2,6-dimethylphenyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532517
N-ethyl-2-[[2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 9491356
2-[[2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N,N-dimethylacetamide
CID 9491359
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 2098057
3-(2-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)quinazolin-4-one
CID 51142904

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one (CID 7846354) is 3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one is CSCCSc1nc2ccccc2c(=O)n1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one?
The InChIKey is YIDXNWWMXROLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS2/c1-22-10-11-23-17-19-14-8-4-2-6-12(14)16(21)20(17)15-9-5-3-7-13(15)18/h2-9H,10-11H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one?
3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one has a molecular weight of 346.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 7846354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).