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

C20H19FN2OS — CID 2188907

IUPAC3-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2ccccc2F)n1C1CCCC1
InChIInChI=1S/C20H19FN2OS/c21-17-11-5-1-7-14(17)13-25-20-22-18-12-6-4-10-16(18)19(24)23(20)15-8-2-3-9-15/h1,4-7,10-12,15H,2-3,8-9,13H2
InChIKeyGINOYSYDUZTPCO-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.94
Rot. Bonds4

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

3-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one (PubChem CID 2188907) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one
PubChem CID2188907
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC Name3-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2ccccc2F)n1C1CCCC1
InChIInChI=1S/C20H19FN2OS/c21-17-11-5-1-7-14(17)13-25-20-22-18-12-6-4-10-16(18)19(24)23(20)15-8-2-3-9-15/h1,4-7,10-12,15H,2-3,8-9,13H2
InChIKeyGINOYSYDUZTPCO-UHFFFAOYSA-N
XLogP4.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one (CID 2188907) is 3-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one is O=c1c2ccccc2nc(SCc2ccccc2F)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one?
The InChIKey is GINOYSYDUZTPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c21-17-11-5-1-7-14(17)13-25-20-22-18-12-6-4-10-16(18)19(24)23(20)15-8-2-3-9-15/h1,4-7,10-12,15H,2-3,8-9,13H2.
What are the key properties of 3-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one?
3-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one has a molecular weight of 354.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 2188907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).